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APAC Pharmaceutical, LLC

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Contact: Andy Yao
Web: http://www.apacpharma.com
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Address: 6851 Oak Hall Lane, Suite 101, Columbia, Maryland 21045, USA
Phone: +1-(410)-997-5552, 469-0727 | Fax: +1-(410)-309-5955 | Map/Directions >>

Profile: APAC Pharmaceutical, LLC is a custom chemical and cGMP manufacturing company. We provide chemistry & manufacturing solutions for specialty chemical, pharmaceutical and bio-tech companies. Our specialty product lines are specialty intermediates, metabolites, research reference standards, and drug like compound libraries. These products represent highly characterized compounds of drug substances, impurities, degradation products, metabolites and performance calibrators. Our products include fondaparinux sodium, 2,3,0-(3-pentylidene)-d-gluceraldhyde, 4, 4 -difluoro-cyclohexane carboxylic acid, 1,3,5-tris[(3,3,3-trifluoropropyl)methyl]cyclotrisiloxane, (s)-(-)-4-benzyl-2-oxazolidinone, d-(-)-2-aminobutylic acid, and (r)-tert-butanesulfinamide. We are also specialized in the research and production of synthetic peptides. We develop and manufacture custom peptides & custom cGMP peptides. We have a wide range of modified peptides such as those with unnatural amino acid, phosphorylation, terminal modifications and cyclization. We specialize in the modification of nucleosides and nucleotides. We offer a variety of modified and non-modified nucleoside/nucleotide as well as their analogs. We manufacture a variety of aromatic and unsaturated N, O, S heterocyclic ring including heteroaromatic synthons, complex heterocyclic systems & novel heteroaromatic compounds.

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• 3-Bromocamphor
IUPAC Name: 3-bromo-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one | CAS Registry Number: 76-29-9
Synonyms: Camphor bromide, (+)-3-Bromocamphor, 3-Bromo-d-camphor, 3-Bromo-2-bornanone, d-alpha-Bromocamphor, 3-Bromobornan-2-one, Camphor, 3-bromo-, d-.alpha.-Bromocamphor, Camphor, 3-bromo-, d-, 2-Bornanone, 3-bromo-, CAMPHOR, MONOBROMATED, Camphor, 3-bromo- (6CI), ARONIS005280, Camphor, 3-alpha-bromo-, (+)-, STOCK2S-11038, Camphor, monobromated [USP IX], EINECS 200-950-8, EINECS 233-652-1, ((1R)-endo)-(+)-3-Bromocamphor, NSC 26355

Molecular Formula: C10H15BrOMolecular Weight: 231.129500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NJQADTYRAYFBJN-UHFFFAOYSA-N

• 3-Trifluoromethyl Benzyl Chloride
IUPAC Name: 1-(chloromethyl)-3-(trifluoromethyl)benzene | CAS Registry Number: 705-29-3
Synonyms: 3-(Chloromethyl)benzotrifluoride, 3-(Trifluoromethyl)benzyl chloride, m-Trifluoromethylbenzyl chloride, 167703_ALDRICH, 3-Trifluoromethylbenzyl chloride, NSC5227, m-(Trifluoromethyl)benzyl chloride, JRD-0235, NSC 5227, EINECS 211-884-4, alpha-Chloro-3-trifluoromethyltoluene, Benzene, 1-(chloromethyl)-3-(trifluoromethyl)-, .alpha.-Chloro-3-trifluoromethyltoluene, 1-(Chloromethyl)-3-(trifluoromethyl)benzene, ST5214171, TL8004976, alpha'-Chloro-alpha,alpha,alpha-trifluoro-m-xylene, .alpha.'-Chloro-.alpha.,.alpha.,.alpha.-trifluoro-m-xylene, m-Xylene, alpha'-chloro-alpha,alpha,alpha-trifluoro-, m-Xylene, .alpha.'-chloro-.alpha.,.alpha.,.alpha.-trifluoro-

Molecular Formula: C8H6ClF3Molecular Weight: 194.581450 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XGASTRVQNVVYIZ-UHFFFAOYSA-N

• 4-Methyl-5-Hydroxyethyl Thiazole
IUPAC Name: 2-(4-methyl-1,3-thiazol-5-yl)ethanol | CAS Registry Number: 137-00-8
Synonyms: Hemineurine, sulfurol, Thiamine thiazole, 5-Thiazoleethanol, 4-methyl-, 4-Methyl-5-thiazolethanol, 4-Methyl-5-hydroxyethylthiazole, 4-METHYL-5-THIAZOLEETHANOL, 5-(2-Hydroxyethyl)-4-methylthiazole, MHT (VAN), 4-Methyl-5-thiazolylethanol, W320404_ALDRICH, 4-Methyl-5-hydroxethylthiazole, FEMA No. 3204, 190675_ALDRICH, 2-(4-Methylthiazol-5-yl)ethanol, 4-methyl-5-(2-hydroxyethyl)-thiazole, NChemBio.2007.13-comp11, CHEBI:17957, CID1136, 4-Methyl-5-(2-hydroxyethyl)thiazole

Molecular Formula: C6H9NOSMolecular Weight: 143.206760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: BKAWJIRCKVUVED-UHFFFAOYSA-N

• 4-Phenyl-4-HydroxyPiperidine
IUPAC Name: 4-phenylpiperidin-4-ol | CAS Registry Number: 40807-61-2
Synonyms: 4-Phenyl-4-piperidinol, Ambap1663, 4-Phenylpiperidin-4-ol, 4-Hydroxy-4-phenylpiperidine, 4-Piperidinol, 4-phenyl-, H52201_ALDRICH, NSC71658, 56170_FLUKA, CID96387, EINECS 255-089-0, NSC 71658

Molecular Formula: C11H15NOMolecular Weight: 177.242900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: KQKFQBTWXOGINC-UHFFFAOYSA-N

• 2',4'-Difluoroacetophenone
IUPAC Name: 1-(2,4-difluorophenyl)ethanone | CAS Registry Number: 364-83-0
Synonyms: Acetophenone, 2',4'-difluoro-, 264253_ALDRICH, Ethanone, 1-(2,4-difluorophenyl)-, 36863_FLUKA, ZINC00157303, CID67770, EINECS 206-667-6, 1-(2,4-Difluorophenyl)ethan-1-one, TL806298, T5792202

Molecular Formula: C8H6F2OMolecular Weight: 156.129446 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: QEWHNJPLPZOEKU-UHFFFAOYSA-N

• 2-Amino-4-Methoxy-6-Methyl-1,3,5-Triazine
IUPAC Name: 4-methoxy-6-methyl-1,3,5-triazin-2-amine | CAS Registry Number: 1668-54-8
Synonyms: Oprea1_823704, 522996_ALDRICH, EINECS 216-790-7, CV 399, ALBB-007467, s-Triazine, 2-amino-4-methoxy-6-methyl-, 2-Methyl-4-amino-6-methoxy-s-triazine, BRN 0608250, SBB004163, ZINC00193078, 4-Methoxy-6-methyl-1,3,5-triazin-2-amine, 1,3,5-Triazin-2-amine, 4-methoxy-6-methyl-, LS-155053, EU-0034780, 2-Amino-4-methoxy-6-methyl-1,3,5-triazine, 2-AMINO-4-METHOXY-6-METHYL-S-TRIAZINE, 4-methoxy-6-methyl-1,3,5-triazin-2-ylamine, 5-26-09-00404 (Beilstein Handbook Reference), AG-664/25040005

Molecular Formula: C5H8N4OMolecular Weight: 140.143220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: NXFQWRWXEYTOTK-UHFFFAOYSA-N

• 2,4-Dinitroaniline
IUPAC Name: 2,4-dinitroaniline | CAS Registry Number: 97-02-9
Synonyms: 2,4-DINITROANILINE, Aniline, 2,4-dinitro-, 2,4-Dinitraniline, Benzenamine, 2,4-dinitro-, 2,4-Dinitroanilin, 2,4-Dinitroanilina, 2,4-Dinitrobenzenamine, 2,4-Dinitrophenylamine, 1-Amino-2,4-dinitrobenzene, WLN: WNR BZ ENW, 2,4-Dinitroanilin [German], 2,4-Dinitroanilina [Italian], CCRIS 2872, ghl.PD_Mitscher_leg0.930, HSDB 1142, D193011_ALDRICH, 45963_RIEDEL, NCI-C60753, NSC 8731, EINECS 202-553-5

Molecular Formula: C6H5N3O4Molecular Weight: 183.121600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: LXQOQPGNCGEELI-UHFFFAOYSA-N

• 2,9-Diacetylguanine
IUPAC Name: N-(9-acetyl-6-oxo-3H-purin-2-yl)acetamide | CAS Registry Number: 3056-33-5
Synonyms: N2,9-Diacetylguanine, Ambap758, 377899_ALDRICH, EINECS 221-287-0, SBB009975, TL8002355, N-(9-Acetyl-6,9-dihydro-6-oxo-1H-purin-2-yl)acetamide

Molecular Formula: C9H9N5O3Molecular Weight: 235.199460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: GILZZWCROUGLIS-UHFFFAOYSA-N

• 2-Amino-6-Chloro Benzothiazole
IUPAC Name: 6-chloro-1,3-benzothiazol-2-amine | CAS Registry Number: 95-24-9
Synonyms: 2-Amino-6-chlorobenzothiazole, 2-Benzothiazolamine, 6-chloro-, Maybridge1_001187, 6-Chlorobenzothiazol-2-ylamine, MLS001005225, 136085_ALDRICH, EINECS 202-402-3, BRN 0127752, SBB000249, ZINC00119437, BENZOTHIAZOLE, 2-AMINO-6-CHLORO-, LS-40664, SMR000348635, 4-27-00-04862 (Beilstein Handbook Reference), SR-01000641019-1, InChI=1/C7H5ClN2S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H,(H2,9,10

Molecular Formula: C7H5ClN2SMolecular Weight: 184.646000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VMNXKIDUTPOHPO-UHFFFAOYSA-N

• 2-Amino-6-Chloropurine
IUPAC Name: 6-chloro-7H-purin-2-amine | CAS Registry Number: 10310-21-1
Synonyms: 6-Chloroguanine, 2-Amino-6-chloropurine, 2-Amino-6-chlorpurine, 6-Chloro-2-aminopurine, Purine, 2-amino-6-chloro-, 1H-Purin-2-amine, 6-chloro-, 6-Chloro-7H-purin-2-ylamine, 109789_ALDRICH, 342300_ALDRICH, EINECS 233-686-7, 6-CHLORO-1H-PURIN-2-AMINE, NSC 29570, AIDS024269, AIDS-024269, NSC29570, SBB003863, ZINC03860888, 1H-Purin-2-amine, 6-chloro- (9CI), LS-126471, C-4110

Molecular Formula: C5H4ClN5Molecular Weight: 169.571760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: RYYIULNRIVUMTQ-UHFFFAOYSA-N

• 2-Cyanopiperidine
IUPAC Name: piperidine-2-carbonitrile | CAS Registry Number: 42457-10-3
Synonyms: 2-cyanopiperidine, Piperidine-2-carbonitrile, Pipecolonitrile, 2-piperidinecarbonitrile, (S)-2-CYANOPIPERIDINE, 2-Cyano-piperidinehydrochloride, pipecolinonitrile, PubChem23031, AC1L4DP0, AGN-PC-00MLC8, SureCN4824916, PIPERIDINE CARBONITRILE, (2S)-piperidine-2-carbonitrile, MolPort-003-983-323, (+/-)-2-CYANOPIPERIDINE, ANW-75173, SBB066879, AKOS001297611, AB13841, AK-39015

Molecular Formula: C6H10N2Molecular Weight: 110.157000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YAVXLTMRALFZIS-UHFFFAOYSA-N

• 2'-Hydroxy-3-Phenylpropiophenone
IUPAC Name: 1-(2-hydroxyphenyl)-3-phenylpropan-1-one | CAS Registry Number: 3516-95-8
Synonyms: 2'-Hydroxy-3-phenylpropiophenone, 102288_ALDRICH, o-Hydroxy-.beta.-phenyl propiophenone, o-Hydroxy-beta-phenyl propiophenone, EINECS 222-521-4, 1-(2-Hydroxyphenyl)-3-phenylpropan-1-one, TL8002620, 42772-82-7

Molecular Formula: C15H14O2Molecular Weight: 226.270460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JCPGMXJLFWGRMZ-UHFFFAOYSA-N

• 3,4,5-Trimethoxy Ethyl Benzoate
IUPAC Name: ethyl 3,4,5-trimethoxybenzoate | CAS Registry Number: 6178-44-5
Synonyms: NSC26825, ZINC01634150, ST5406898

Molecular Formula: C12H16O5Molecular Weight: 240.252440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: UEOFNBCUGJADBM-UHFFFAOYSA-N

• 3,4,5-Trimethoxy Methyl Benzoate
IUPAC Name: methyl 3,4,5-trimethoxybenzoate | CAS Registry Number: 1916-07-0
Synonyms: Methyl tri-O-methylgallate, Methyl 3,4,5-trimethoxybenzoate, Trimethylgallic acid methyl ester, M86006_ALDRICH, 3,4,5-Trimethoxybenzoic acid, methyl ester, EINECS 217-629-3, NSC 16955, NSC16955, BRN 2218156, ZINC00057165, BENZOIC ACID, 3,4,5-TRIMETHOXY-, METHYL ESTER, AI3-21154, LS-38496, METHYL-3,4,5-TRIMETHOXY BENZOATE, 3,4,5-Trimethoxybenzoic acid methyl ester, ST5307960, 4-10-00-01999 (Beilstein Handbook Reference), AF-684/30328043, InChI=1/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H

Molecular Formula: C11H14O5Molecular Weight: 226.225860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: KACHFMOHOPLTNX-UHFFFAOYSA-N

• 3-Triflouro Methylphenyl Acetonitrile
IUPAC Name: 2-[3-(trifluoromethyl)phenyl]acetonitrile | CAS Registry Number: 2338-76-3
Synonyms: 3-Trifluormethylbenzylcyanide, 3-(Trifluoromethyl)phenylacetonitrile, m-(Trifluoromethyl)benzylcyanide, 3-(Trifluoromethyl)benzyl cyanide, m-Trifluoromethylphenylacetonitrile, 199192_ALDRICH, Benzeneacetonitrile, 3-(trifluoromethyl)-, EINECS 219-053-8, 3-(Trifluoromethyl)benzeneacetonitrile, JRD-0314, BRN 0909640, ZINC00164848, LS-29050, ST5406451, Acetonitrile, (.alpha.,.alpha.,.alpha.-trifluoro-m-tolyl)-, Acetonitrile, (alpha,alpha,alpha-trifluoro-m-tolyl)- (7CI,8CI)

Molecular Formula: C9H6F3NMolecular Weight: 185.145850 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JOIYKSLWXLFGGR-UHFFFAOYSA-N

• 4,6-Dichloro Pyrimidine
IUPAC Name: 4,6-dichloropyrimidine | CAS Registry Number: 1193-21-1
Synonyms: 4,6-Dichloropyrimidine, nchembio760-comp5, Pyrimidine, 4,6-dichloro-, 145378_ALDRICH, 36420_FLUKA, NSC37530, EINECS 214-770-2, NSC 37530, ZINC01670096, D2356G5, NCI60_003520, TL806271, AI3-26563, T5636961, InChI=1/C4H2Cl2N2/c5-3-1-4(6)8-2-7-3/h1-2

Molecular Formula: C4H2Cl2N2Molecular Weight: 148.978080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XJPZKYIHCLDXST-UHFFFAOYSA-N

• 5-Methoxylindole
IUPAC Name: 5-methoxy-1H-indole | CAS Registry Number: 1006-94-6
Synonyms: Femedol, 5-Methoxy-1H-indole, 5-METHOXYINDOLE, Indole, 5-methoxy-, 1H-Indole, 5-methoxy-, Methoxy-5 indole, Indol-5-yl methyl ether, Methoxy-5 indole [French], M14900_ALDRICH, 1H-Indol-5-yl methyl ether, Methoxy-5 indole [French], WLN: T56 BMJ GO1, EINECS 213-745-3, 1H-Indole, 5-methoxy- (9CI), NSC 521752, CID13872, NSC521752, SBB004094, ZINC00158156, M2323G1

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DWAQDRSOVMLGRQ-UHFFFAOYSA-N

• 5-Nitrofurfural Diacetate
IUPAC Name: [acetyloxy-(5-nitrofuran-2-yl)methyl] acetate | CAS Registry Number: 92-55-7
Synonyms: Nitrofuraldehyde diacetate, 5-Nitrofurfural diacetate, 5-Nitro-2-furaldehyde diacetate, 2-(Diacetoxymethyl)-5-nitrofuran, 5-Nitro-2-furfural diacetate, 5-Nitrofurfurylidene diacetate, 5-Nitrofuraldehyde diacetate, Maybridge1_006444, CCRIS 1191, 5-Nitro-2-furanmethanediol diacetate, 5-Nitro-2-furfuraldehyde diacetate, 5-Nitrofurfurylidene di(acetate), 5-Nitro-2-furanmethandiol diacetate, NSC 5411, EINECS 202-166-1, 5-Nitro-2-furancarboxaldehyde diacetate, NSC5411, 5-Nitro-2-furan methandiol diacetate, BRN 0255089, ZINC00056461

Molecular Formula: C9H9NO7Molecular Weight: 243.170260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: HSXKWKJCZNRMJO-UHFFFAOYSA-N

• 6-Mercaptopurine
IUPAC Name: 3,7-dihydropurine-6-thione | CAS Registry Number: 50-44-2
Synonyms: mercaptopurine, Mercapurin, Leupurin, Mercaleukin, Purinethiol, Purinethol, Leukerin, 6-Mercaptopurin, Ismipur, 6-Thioxopurine, 6-Purinethiol, 6-Thiopurine, Mern, Mercaleukim, Purimethol, Leukeran, Puri-Nethol, 6-Thiohypoxanthine, Purine-6-thiol, 3H-Purine-6-thiol

Molecular Formula: C5H4N4SMolecular Weight: 152.177060 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GLVAUDGFNGKCSF-UHFFFAOYSA-N

• 4-N-Pentylbenzaldehyde
IUPAC Name: 4-pentylbenzaldehyde | CAS Registry Number: 6853-57-2
Synonyms: p-Pentylbenzaldehyde, Benzaldehyde, 4-pentyl-, p-AMYLBENZALDEHYDE, 4-PENTYLBENZALDEHYDE, SBB008364, ZINC02029775, FR-1291

Molecular Formula: C12H16OMolecular Weight: 176.254840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NQVZPRUSNWNSQH-UHFFFAOYSA-N

• 2,2-Bis[4-(4-aminophenoxy)phenyl]hexafluoropropane
IUPAC Name: 4-[4-[2-[4-(4-aminophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]aniline | CAS Registry Number: 69563-88-8
Synonyms: 4-BDAF, 386669_ALDRICH, ZINC02026150, CID94652, LS-28443, 2,2-Bis(4-(4-aminophenoxy)phenyl)hexafluoropropane, 2,2-Bis(4-[4-aminophenoxy]phenyl)hexafluoropropane, 3S105516, 4'',4'''-(Hexafluoroisopropylidene)bis(4-phenoxyaniline), 4,4'-(Hexafluoroisopropylidene)bis(p-phenylenoxy)dianiline, 4,4'-((2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene)bis(4,1-phenyleneoxy))bisbenzenamine, Benzenamine, 4,4'-((2,2,2-trifluoro-1-(trifluoromethyl)ethylidene)bis(4,1-phenyleneoxy))bis-, 479545-03-4, Benzenamine, 4,4'-[[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis(4,1-phenyleneoxy)]bis-

Molecular Formula: C27H20F6N2O2Molecular Weight: 518.450319 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 10

InChIKey: HHLMWQDRYZAENA-UHFFFAOYSA-N

• 5-Bromoindole-2-carboxylic acid
IUPAC Name: 5-bromo-1H-indole-2-carboxylic acid | CAS Registry Number: 7254-19-5
Synonyms: Oprea1_523989, B2761_SIGMA, 5-Bromo-1H-indole-2-carboxylic acid, NSC73384, AIDS209132, AIDS-209132, ALBB-007015, CID252137, GA-0937, TL8005069, B-8660

Molecular Formula: C9H6BrNO2Molecular Weight: 240.053440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YAULOOYNCJDPPU-UHFFFAOYSA-N

• 7-Chloro-4-hydroxy-3-quinolinecarboxylic acid
IUPAC Name: 7-chloro-4-oxo-1H-quinoline-3-carboxylic acid | CAS Registry Number: 86-47-5
Synonyms: USAF KF-16, 521612_ALDRICH, NSC56803, EINECS 201-673-5, Quinoline, 3-carboxy-4-hydroxy-7-chloro-, NSC 27801, AIDS167242, 3-Carboxy-4-hydroxy-7-chloroquinoline, 3-Quinolinecarboxylic acid, 7-chloro-4-hydroxy-, AIDS-167242, CID66579, NSC27801, BRN 0171561, SBB003330, AI3-23857, LS-141498, 7-Chloro-4-hydroxyquinoline-3-carboxylic acid, 5-22-05-00286 (Beilstein Handbook Reference)

Molecular Formula: C10H6ClNO3Molecular Weight: 223.612540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: SACLIBNEKWTDEG-UHFFFAOYSA-N

• 2-Fluorophenylacetic Acid
IUPAC Name: 2-(2-fluorophenyl)acetic acid | CAS Registry Number: 451-82-1
Synonyms: 2-Fluorophenylacetic acid, o-Fluorophenylacetic acid, Benzeneacetic acid, 2-fluoro-, Carbazole-9-propionic acid, 208949_ALDRICH, NSC401, Acetic acid, (o-fluorophenyl)-, 47340_FLUKA, NSC 401, EINECS 207-196-9, AI3-52626, TL8006087, F-6370

Molecular Formula: C8H7FO2Molecular Weight: 154.138383 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RPTRFSADOICSSK-UHFFFAOYSA-N

• (2r)-2-Amino-1-Propanol
IUPAC Name: 2-aminopropan-1-ol | CAS Registry Number: 35320-23-1
Synonyms: Alaninol, d-Alaninol, 2-Aminopropanol, 2-Amino-1-propanol, DL-Alaninol, beta-Propanolamine, 1-Propanol, 2-amino-, D,L-Alaninol, .beta.-Propanolamine, 2-Aminopropan-1-ol, 2-Amino-2-methylethanol, 1-Hydroxy-2-aminopropane, 1-Methyl-2-hydroxyethylamine, ()-2-Amino-1-propanol, (+)-2-Aminopropan-1-ol, (R)-(-)-2-Amino-1-propanol, 1-Propanol, 2-amino-, DL-, 1-Propanol, 2-amino-, (S)-, 192171_ALDRICH, ARK011

Molecular Formula: C3H9NOMolecular Weight: 75.109660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: BKMMTJMQCTUHRP-UHFFFAOYSA-N

• 3-Amino-2-bromo-6-methylpyridine
IUPAC Name: 4-bromo-2-methylpyridin-3-amine | CAS Registry Number: 126325-48-2
Synonyms: 4-Bromo-2-methylpyridin-3-amine, SureCN2596902, KSC915A1F, AGN-PC-001CZ5, CTK8B5012, MolPort-021-783-071, ACT01261, ANW-47034, AKOS015950847, AK-76394

Molecular Formula: C6H7BrN2Molecular Weight: 187.037180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ORELOTUWTIKRIW-UHFFFAOYSA-N

• 3,4-Dimethoxy-L-phenylalanine
IUPAC Name: (2S)-2-amino-3-(3,4-dimethoxyphenyl)propanoic acid | CAS Registry Number: 32161-30-1
Synonyms: L-3,4-Dimethoxyphenyl alanine, (S)-2-Amino-3-(3,4-dimethoxyphenyl)propionic acid, L-Tyrosine,3-methoxy-O-methyl-, 3-(3,4-Dimethoxyphenyl)-L-alanine, (S)-2-Amino-3-(3,4-Dimethoxy-Phenyl)-Propionic Acid, PubChem13434, SureCN159001, AC1Q49KI, 472727_ALDRICH, CTK4G8319, MolPort-001-793-080, ACN-S002401, ACT00014, ANW-74966, (S)-b-(3,4-dimethoxyphenyl)alanine, AKOS007930123, AKOS010367899, AG-F-07419, RL03145, AK-41629

Molecular Formula: C11H15NO4Molecular Weight: 225.241100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: VWTFNYVAFGYEKI-QMMMGPOBSA-N

• 4-bromoindole-6-carboxylic Acid
IUPAC Name: 4-bromo-1H-indole-6-carboxylic acid | CAS Registry Number: 374633-27-9
Synonyms: 4-Bromoindole-6-carboxylic acid, 4-Bromo-6-indolecarboxylic acid, 4-Bromo-1H-indole-6-carboxylic acid, SureCN3545296, CTK4H8210, AKOS008901322, AG-F-31642, PB20807, AC-11485, AK130525, KB-240913, I10-0774

Molecular Formula: C9H6BrNO2Molecular Weight: 240.053440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: SAEJTFXNRYRHNA-UHFFFAOYSA-N

• 3 - Acetyl-2-Amino Pyridine
IUPAC Name: 1-(2-aminopyridin-3-yl)ethanone | CAS Registry Number: 65326-33-2
Synonyms: 2-AMINO-3-ACETYLPYRIDINE, 1-(2-aminopyridin-3-yl)ethanone, 3-Acetyl-2-aminopyridine, 1-(2-aminopyridin-3-yl)ethan-1-one, SBB065617, AG-G-45836, aminopyridinylethanone, PubChem18534, 2-Amino-3-Acetyl pyridine, SureCN1322157, 3-ACETYLPYRIDIN-2-AMINE, CTK5C2559, MolPort-001-758-288, ACT07685, ANW-74324, ZINC19851162, Ethanone,1-(2-amino-3-pyridinyl)-, AKOS005072803, 1-(2-Amino-3-pyridinyl)-1-ethanone, AB11689

Molecular Formula: C7H8N2OMolecular Weight: 136.151220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BNVLGAQNNFJKHG-UHFFFAOYSA-N

• 4,4'-Azoxydiphenetole
IUPAC Name: (4-ethoxyphenyl)-(4-ethoxyphenyl)imino-oxidoazanium | CAS Registry Number: 4792-83-0
Synonyms: Azoxyphenetole, p-Azoxyphenetol, p,p'-Azoxyphenetole, 4,4'-Azoxyphenetole, Azoxybenzene, 4,4'-diethoxy-, 4,4'-Diethoxyazoxybenzene, Bis-p-ethoxyazoxybenzene, p-AZOXY PHENETOLE, p,p'-Diethyloxyazoxybenzene, p,p'-Diethoxyazoxybenzene, 4,4'-Bis(ethoxy)azoxybenzene, CCRIS 2242, Diazene, bis(4-ethoxyphenyl)-, 1-oxide, NSC142006, Bis(4-ethoxyphenyl)diazene 1-oxide, CID78520, EINECS 225-347-7, STK378390, ZINC04501604, DAH1599101

Molecular Formula: C16H18N2O3Molecular Weight: 286.325720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: QUICZVHSJNKDBL-UHFFFAOYSA-N

• 6,7-Dimethoxy-L-1,2,3,4-Tetrahydroisoquinoline 3-Carboxylic Acid Hydrochloride
IUPAC Name: (3S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxylate | CAS Registry Number: 103733-66-0
Synonyms: ZINC00404044, ZINC00404045, CID6951266

Molecular Formula: C12H15NO4Molecular Weight: 237.251800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: BWYXEHBJIMGDEB-VIFPVBQESA-N

• 5-Hydroxyisocarbostyril
IUPAC Name: 5-hydroxy-2H-isoquinolin-1-one | CAS Registry Number: 5154-02-9
Synonyms: 1,5-isoquinolinediol, 1,5-Dihydroxyisoquinoline, Lopac-I-138, PARP Inhibitor IV, IQD, I138_SIGMA, Lopac0_000655, MLS000860043, 5-Hydroxy-1(2H)-isoquinolinone, 5-Hydroxy-1(2H)-isoquinoline, NSC65585, CID1340, CHEBI:306035, MolPort-003-941-774, 1(2H)-Isoquinolinone, 5-hydroxy-, IN1292, ZINC08616043, SMP2_000192, 5-Hydroxy-2H-isoquinolin-1-one (DHQ), NCGC00015537-01, NCGC00015537-02

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LFUJIPVWTMGYDG-UHFFFAOYSA-N

• 2,4-Difluorobenzaldehyde oxime
IUPAC Name: N-[(2,4-difluorophenyl)methylidene]hydroxylamine | CAS Registry Number: 247092-11-1
Synonyms: AGN-PC-003KMI, 2,4-Difluorobenzaldehydeoxime, CTK4F4206, Benzaldehyde,2,4-difluoro-, oxime, Benzaldehyde, 2,4-difluoro-, oxime, AG-E-74093, KB-84120, KB-164753, A817451, N-[[2,4-bis(fluoranyl)phenyl]methylidene]hydroxylamine

Molecular Formula: C7H5F2NOMolecular Weight: 157.117506 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: SVCQIVUYSQKNAZ-UHFFFAOYSA-N

• 3-(1-Cyanoethyl)benzoic Acid
IUPAC Name: 3-(1-cyanoethyl)benzoic acid | CAS Registry Number: 320730-08-3
Synonyms: 3-(1-Cyanoethyl)benzoic acid, 5537-71-3, Benzoic acid, 3-(1-cyanoethyl)-, m-(1-Cyanoethyl)benzoic acid, NSC113992, zlchem 504, AC1Q4QLY, SureCN687298, ACMC-1B01Z, 3-(2-Hydroxyethyl)benzoicacid, 209805_ALDRICH, AC1L404C, BEN620, CTK4G8166, ZLC0369, MolPort-002-461-961, Benzoic acid,3-(2-hydroxyethyl)-, EINECS 226-897-0, ANW-32301, AR-1E5883

Molecular Formula: C10H9NO2Molecular Weight: 175.183960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IRYIYPWRXROPSX-UHFFFAOYSA-N

• 5-Chloro-2,4,6-trifluoroisophthalonitrile
IUPAC Name: 5-chloro-2,4,6-trifluorobenzene-1,3-dicarbonitrile | CAS Registry Number: 1897-50-3
Synonyms: 5-chloro-2,4,6-trifluoroisophthalonitrile, 5-Chloro-2,4,6-Trifluoro-1,3-Dicyanobenzene, 5-chloro-2,4,6-trifluorobenzene-1,3-dicarbonitrile, SBB063682, PubChem2365, AGN-PC-00IKAA, CHEMBL2377369, CTK4E0207, MolPort-001-771-725, ZINC16158187, AKOS015889659, AG-E-38531, AC-11000, KB-73415, 2,4,6-trifluoro-5-chloroisophthalonitrile, TL8001544, FT-0633901, A813353, I01-2578, 1,3-Benzenedicarbonitrile,5-chloro-2,4,6-trifluoro-

Molecular Formula: C8ClF3N2Molecular Weight: 216.547210 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: GBKXRWNDORMHSG-UHFFFAOYSA-N

• 5-Fluoroindole
IUPAC Name: 5-fluoro-1H-indole | CAS Registry Number: 399-52-0
Synonyms: Indole, 5-fluoro-, 1H-Indole, 5-fluoro-, 5-Fluoro-1H-indole, F9108_ALDRICH, NSC88613, EINECS 206-917-4, ZINC00388684, SL-00462, TL8002888, F-4520, F-4525, InChI=1/C8H6FN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10

Molecular Formula: C8H6FNMolecular Weight: 135.138343 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ODFFPRGJZRXNHZ-UHFFFAOYSA-N

• 3-Fluorocinnamic acid
IUPAC Name: (E)-3-(3-fluorophenyl)prop-2-enoic acid | CAS Registry Number: 458-46-8
Synonyms: m-Fluorocinnamic acid, (E)-m-Fluorocinnamic acid, trans-3-Fluorocinnamic acid, 290483_ALDRICH, JRD-0525, NSC73988, EINECS 207-281-0, EINECS 243-902-1, SBB006621, trans-3-(3-Fluorophenyl)propenoic acid, TL8003182, (2E)-3-(3-Fluorophenyl)-2-propenoic acid, 2-Propenoic acid, 3-(3-fluorophenyl)-, (E)-, 20595-30-6

Molecular Formula: C9H7FO2Molecular Weight: 166.149083 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RTSIUKMGSDOSTI-SNAWJCMRSA-N

• 3-Methyl-4-nitroanisole
IUPAC Name: 4-methoxy-2-methyl-1-nitrobenzene | CAS Registry Number: 5367-32-8
Synonyms: 5-Methoxy-2-nitrotoluene, Anisole, 3-methyl-4-nitro-, 152234_ALDRICH, 36560_RIEDEL, 4-Methoxy-2-methyl-1-nitrobenzene, NSC37985, Benzene, 4-methoxy-2-methyl-1-nitro-, EINECS 226-356-9, ZINC01670353, ST5406579, InChI=1/C8H9NO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RTZOGYCMIMOVHU-UHFFFAOYSA-N

• (25S)-5beta-Spirostan-3beta-ol
Synonyms: Sarsasapogenin, Parigenin, Sarsapogenine, CHEBI:15578, NSC 1615, EINECS 204-776-3, (3beta,5beta,25S)-spirostan-3-ol, LS-193826, 5beta-Spirostan-3beta-ol, (25S)- (8CI), C03963, Spirostan-3-ol, (3beta,5beta,25S)- (9CI)

Molecular Formula: C27H44O3Molecular Weight: 416.636460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GMBQZIIUCVWOCD-WWASVFFGSA-N

• 6-Trifluoromethylindole
IUPAC Name: 6-(trifluoromethyl)-1H-indole | CAS Registry Number: 13544-43-9
Synonyms: 6-(Trifluoromethyl)indole, 6-(trifluoromethyl)-1H-indole, 6-Trifluoromethyl-1H-indole, 1H-Indole, 6-(trifluoromethyl)-, ST50408288, ZINC02564310, PubChem1713, AC1MCRRZ, ACMC-1BSCM, 6-Trifluoromethylindole,, SureCN45243, KSC910G4N, RARECHEM AH BS 0129, CTK8B0346, MolPort-000-006-386, ACT02560, ANW-19845, RW1246, SBB090260, WTI-10687

Molecular Formula: C9H6F3NMolecular Weight: 185.145850 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BPYBYPREOVLFED-UHFFFAOYSA-N

• 5-Fluoro-2-methoxy-3H-pyrimidin-4-one
IUPAC Name: 5-fluoro-2-methoxy-1H-pyrimidin-6-one | CAS Registry Number: 1480-96-2
Synonyms: Ambap6990, 559911_ALDRICH, NSC527067, ZINC02507123, 5-Fluoro-2-methoxy-4(1H)pyrimidinone

Molecular Formula: C5H5FN2O2Molecular Weight: 144.103803 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VMIFBCPINLZNNI-UHFFFAOYSA-N

• 1-Naphthol-5-sulfonic acid
IUPAC Name: 5-hydroxynaphthalene-1-sulfonic acid | CAS Registry Number: 117-59-9
Synonyms: NSC9834, AIDS212071, AIDS-212071, CID67025, 1-Naphthalenesulfonic acid, 5-hydroxy-, EINECS 204-199-7, 5-Hydroxynaphthalene-1-sulphonic acid, 5-Hydroxy-naphthalene-1-sulfonic acid, BAS 00532239

Molecular Formula: C10H8O4SMolecular Weight: 224.233120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: YLKCHWCYYNKADS-UHFFFAOYSA-N

• 2-Amino-6-Bromo-4-Methoxyphenol
IUPAC Name: tert-butyl (3S)-3-phenylpiperazin-4-ium-1-carboxylate | CAS Registry Number: 206872-01-7
Synonyms: ZINC02513101, ZINC04293754, CID7173867

Molecular Formula: C15H23N2O2+Molecular Weight: 263.355320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HRRFJZULVYGVNJ-CYBMUJFWSA-O

• 5-Nitroso-2,4,6-triaminopyrimidine
IUPAC Name: 5-nitrosopyrimidine-2,4,6-triamine | CAS Registry Number: 1006-23-1
Synonyms: 2,4,6-Triamino-5-nitrosopyrimidine, CCRIS 4388, NSC677554, AIDS023042, 5-Nitro-2,4,6-triaminopyrimidine, AIDS-023042, NSC67309, 2,4,6-Pyrimidinetriamine, 5-nitroso-, EINECS 213-742-7, 5-Nitroso-2,4,6-pyrimidinetriamine, NSC 67309, ZINC03861400, Pyrimidine, 2,4,6-triamino-5-nitroso-, 5-Nitroso-2,4,6-Triamino pyrimidine, NSC 677554, 2,4,6-TRIAMINO-5-NITROPYRIMIDINE, AI3-61621, ST5308348, TL8000062

Molecular Formula: C4H6N6OMolecular Weight: 154.130040 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: XLQQJSWJHHKLOK-UHFFFAOYSA-N

• 2-Propylimidazole
IUPAC Name: 2-propyl-1H-imidazole | CAS Registry Number: 50995-95-4
Synonyms: 2-Propyl-1H-imidazole, 1H-Imidazole, 2-propyl-, EINECS 256-902-1, CID162617

Molecular Formula: C6H10N2Molecular Weight: 110.157000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MKBBSFGKFMQPPC-UHFFFAOYSA-N

• 3,4-dihydroxy ethyl benzoate
IUPAC Name: ethyl 3,4-dihydroxybenzoate | CAS Registry Number: 3943-89-3
Synonyms: Ethyl protocatechuate, Ethyl 3,4-dihydroxybenzoate, Ambap72, 3,4-DHBEEOP, E24859_ALDRICH, Protocatechuic acid ethyl ester, Protocatechuic acid, ethyl ester, AIDS018069, AIDS108197, AIDS-018069, AIDS-108197, CID77547, NSC86130, EINECS 223-529-0, NSC 86130, NSC619681, ZINC00403548, 3,4-Dihydroxybenzoic acid, ethyl ester, Benzoic acid, 3,4-dihydroxy-, ethyl ester, 3,4-Dihydroxybenzoic acid, Ethyl ester, homopolymer

Molecular Formula: C9H10O4Molecular Weight: 182.173300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KBPUBCVJHFXPOC-UHFFFAOYSA-N

• 3-Cyclopentyl Propionyl Chloride
IUPAC Name: 3-cyclopentylpropanoyl chloride | CAS Registry Number: 104-97-2
Synonyms: Cyclopentylpropionyl chloride, 3-Cyclopentylpropionyl chloride, Cyclopentanepropionyl chloride, 268593_ALDRICH, CID66039, EINECS 203-257-9, ZINC02015939, ST5214050

Molecular Formula: C8H13ClOMolecular Weight: 160.641220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SZQVEGOXJYTLLB-UHFFFAOYSA-N

• 2-Pipecoline
IUPAC Name: 2-methylpiperidine | CAS Registry Number: 109-05-7
Synonyms: Pipicoline, alpha-Pipecoline, 2-METHYLPIPERIDINE, alpha-Pipecolin, .alpha.-Pipecolin, alpha-Methylpiperidine, Piperidine, 2-methyl-, D-alpha-Pipecoline, .alpha.-Pipecoline, PIPECOLINE, ALPHA, 2-Pipecoline (8CI), .alpha.-Methylpiperidine, WLN: T6MTJ B1, M72803_ALDRICH, (S)-()-2-Methylpiperidine, W424401_ALDRICH, 522902_ALDRICH, NSC462, EINECS 203-642-1, NSC 31047

Molecular Formula: C6H13NMolecular Weight: 99.174120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NNWUEBIEOFQMSS-UHFFFAOYSA-N

• 2,4-Dimethyl-6-Tert butyl Phenol
IUPAC Name: 2-tert-butyl-4,6-dimethylphenol | CAS Registry Number: 1879-09-0
Synonyms: Topanol A, Prodox 340, 6-tert-Butyl-2,4-dimethylphenol, 6-tert-Butyl-2,4-xylenol, 2,4-Dimethyl-6-tert-butylphenol, 6-t-Butyl-2,4-xylenol, 2,4-Xylenol, 6-tert-butyl-, 2-tert-Butyl-4,6-dimethylphenol, 6-t-Butyl-2,4-dimethylphenol, NSC 8130, EINECS 217-533-1, NSC8130, CID15884, BRN 1941702, ZINC01586423, Phenol, 2-(1,1-dimethylethyl)-4,6-dimethyl-, WLN: QR B1 D1 F1X1&1&1, SB 01223, LS-162625, 4-06-00-03442 (Beilstein Handbook Reference)

Molecular Formula: C12H18OMolecular Weight: 178.270720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OPLCSTZDXXUYDU-UHFFFAOYSA-N

• 5-Hydroxy Indole
IUPAC Name: 1H-indol-5-ol | CAS Registry Number: 1953-54-4
Synonyms: 5-Hydroxyindole, 1H-Indol-5-ol, INDOL-5-OL, 5-Hydroxy-1H-indole, Hydroxy-5 indole, 5-Indolol, Hydroxy-5 indole [French], CCRIS 4422, NCIOpen2_001272, WLN: T56 BMJ GQ, 1H-Indol-5-ol (9CI), H31859_ALDRICH, Hydroxy-5 indole [French], MLS000039632, 5-HI, EINECS 217-782-6, NSC 87503, NSC87503, BRN 0112349, NSC-87503

Molecular Formula: C8H7NOMolecular Weight: 133.147280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: LMIQERWZRIFWNZ-UHFFFAOYSA-N


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