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Chemspecial Ltd.

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Profile: ChemSpecial supports pharmaceutical, biotech and agrochemical industries in their research, development and manufacture. Custom synthesis products and pharmaceutical intermediates forms our core business. We are also devoted to innovative chemical process technologies for the production of key pharmaceutical intermediates and active pharmaceutical ingredients.

Our offer includes Heterocyclic building blocks, Organic building blocks, Chiral building blocks, Amino acids and derivatives, Organofluoride and organosilicon materials and Organic electronic & photonic materials.

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• (R)-1-N-Boc-piperazine-2-carboxylic acid methyl ester
IUPAC Name: 1-O-tert-butyl 2-O-methyl (2R)-piperazine-1,2-dicarboxylate | CAS Registry Number: 252990-05-9
Synonyms: Methyl (R)-1-Boc-piperazine-2-carboxylate, (R)-N-Boc-piperazine-2-carboxylic acid methyl ester, (R)-Piperazine-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester, (r)-1-tert-butyl 2-methyl piperazine-1,2-dicarboxylate, PubChem18319, SureCN6350612, CTK3J6957, MolPort-000-006-040, ACN-S002926, [(2-n-boc)piperazine(2r)cooh]-ome, ANW-47281, ZINC21297746, AKOS005258544, AKOS015897820, AC-2195, AG-C-28342, PB15780, AK-29940, BR-29940, KB-02773

Molecular Formula: C11H20N2O4Molecular Weight: 244.287500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: BRXKHIPPSTYCKO-MRVPVSSYSA-N

• (+/-)-1-N-Boc-piperidine-2-carboxamide
IUPAC Name: tert-butyl 2-carbamoylpiperidine-1-carboxylate | CAS Registry Number: 388077-74-5
Synonyms: ARK014, 1-N-Boc-Piperidine-2-carboxamide, ZINC02578117, CID2756820

Molecular Formula: C11H20N2O3Molecular Weight: 228.288100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KIFYKONQFFJILQ-UHFFFAOYSA-N

• (R)-4-Glycidyl butyrate
IUPAC Name: [(2R)-oxiran-2-yl]methyl butanoate | CAS Registry Number: 60456-26-0
Synonyms: (R)-Glycidyl butyrate, 338125_ALDRICH, 50038_FLUKA, 92343_FLUKA, ZINC01730609, (R)-(−)-Glycidyl butyrate, SB 01469, TL8003828, (R)-(−)-Oxirane-2-methanol butyrate

Molecular Formula: C7H12O3Molecular Weight: 144.168380 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YLNSNVGRSIOCEU-ZCFIWIBFSA-N

• (R)-Methyl glycidyl ether
IUPAC Name: (2R)-2-(methoxymethyl)oxirane | CAS Registry Number: 64491-70-9
Synonyms: 454680_ALDRICH, 50024_FLUKA, ZINC02040167, (R)-(−)-Glycidyl methyl ether, (R)-(−)-Methyl glycidyl ether, (R)-(−)-2-(Methoxymethyl)oxirane

Molecular Formula: C4H8O2Molecular Weight: 88.105120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LKMJVFRMDSNFRT-BYPYZUCNSA-N

• (1R)-(-)-2-Azabicyclo[2.2.1]hept-5-en-3-one
IUPAC Name: (1R,4S)-6-azabicyclo[2.2.1]hept-2-en-5-one | CAS Registry Number: 79200-56-9
Synonyms: ZINC00158453

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DDUFYKNOXPZZIW-UHNVWZDZSA-N

• (R)-(-)-Ethyl nipecotate
IUPAC Name: ethyl (3R)-piperidine-3-carboxylate | CAS Registry Number: 25137-01-3

Molecular Formula: C8H15NO2Molecular Weight: 157.210200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XIWBSOUNZWSFKU-SSDOTTSWSA-N

• 3-Carbamoyl Methyl-5-Methyl Hexanoic Acid
IUPAC Name: (3R)-3-(2-amino-2-oxoethyl)-5-methylhexanoic acid | CAS Registry Number: 181289-33-8
Synonyms: (R)-3-(2-Amino-2-oxoethyl)-5-methylhexanoic acid, (R)-(-)-3-Carbamoymethyl-5-methylhexanoic acid, R-(-)-3-(Carbamoylmethyl)-5-methylhexanoic acid, (R)-3-(CARBAMOYLMETHYL)-5-METHYLHEXANOIC ACID, (R)-(-)-3-(Carbamoymethyl)-5-methylhexanoic acid, 185815-61-6, PubChem15653, Jsp003716, CTK0H1306, MolPort-005-932-283, AKOS006291565, AC-6812, AG-E-35040, LS30284, AK-26958, BR-26958, KB-03208, O880, (R)-3-Carbamoymethyl-5-methyl hexanoic acid, FT-0648924

Molecular Formula: C9H17NO3Molecular Weight: 187.236180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NPDKTSLVWGFPQG-SSDOTTSWSA-N

• (r)-2-hydroxy-4-phenylbutanoic Acid
IUPAC Name: (2R)-2-hydroxy-4-phenylbutanoic acid | CAS Registry Number: 29678-81-7
Synonyms: 420085_ALDRICH, 2-Hydroxy-4-phenylbutyric acid, (R)-2-Hydroxy-4-phenylbutyric acid, TL8002311, N-1121

Molecular Formula: C10H12O3Molecular Weight: 180.200480 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: JNJCEALGCZSIGB-SECBINFHSA-N

• 3-Piperidinecarboxylic acid, methyl ester, (R)- (9CI)
IUPAC Name: methyl (3R)-piperidine-3-carboxylate | CAS Registry Number: 164323-85-7
Synonyms: (R)-Methyl nipecotate, (R)-Methyl piperidine-3-carboxylate, METHYL (R)-NIPECOTATE, methyl (3R)-piperidine-3-carboxylate, AG-E-14140, (R)-Methylnipecotate, Methyl (R )-nipecotate, CTK4D1783, MolPort-003-987-545, ACT04198, ANW-45299, FC0471, (R)-3-Methyl piperidridinelarboxylate, AKOS005259831, PB34398, AK-60117, KB-03395, S981, (R)-3-METHYL PIPERIDINECARBOXYLATE, TL8006207

Molecular Formula: C7H13NO2Molecular Weight: 143.183620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BCDBHIAXYFPJCT-ZCFIWIBFSA-N

• (R)-(+)-1-(1-Naphthyl)ethylamine
IUPAC Name: 1-naphthalen-1-ylethanamine | CAS Registry Number: 3886-70-2
Synonyms: 1-(1-Naphthyl)ethylamine, 1-(1-Naphthyl)ethanamine, ()-1-(1-Naphthyl)ethylamine, 294926_ALDRICH, 70715_FLUKA, (+/-)1-(1-Naphthyl)ethylamine, ALBB-002137, NSC75881, NSC75882, R-(+)-1-(1-Naphthyl)ethylamine, EINECS 223-425-5, NSC 75881, NSC180601, (S)-(-)-.alpha.-(1-Naphthyl)ethylamine, GL-0344, NSC 180601, 1-Naphthalenemethanamine, alpha-methyl-, ()-alpha-Methyl-1-naphthalenemethylamine, (R)-alpha-Methyl-1-naphthalenemethanamine, AI3-26857

Molecular Formula: C12H13NMolecular Weight: 171.238320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RTCUCQWIICFPOD-UHFFFAOYSA-N

• (S)-(+)-2-Hydroxy-4-phthalimidobutyric acid
IUPAC Name: (2S)-4-(1,3-dioxoisoindol-2-yl)-2-hydroxybutanoate | CAS Registry Number: 48172-10-7
Synonyms: ZINC00056909, CID6921645

Molecular Formula: C12H10NO5-Molecular Weight: 248.211500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: YWDXODQRCDEZLN-VIFPVBQESA-M

• (R)-(+)-3-Amino-1,2-propandiol
IUPAC Name: (2R)-3-aminopropane-1,2-diol | CAS Registry Number: 66211-46-9
Synonyms: (R)-3-Amino-1,2-propanediol, (2R)-3-aminopropane-1,2-diol, (R)-(+)-Amino-1,2-propanediol, (r)-(+)-3-amino-1,2-propanediol, PubChem5711, AC1ODVQC, r-3-amino-1,2-propanol, r-3-amino-1,2-propanediol, KSC491Q6B, (R)-3-aminopropane-1,2-diol, 09267_FLUKA, CTK3J1860, (r)-3-amino-1, 2-propanediol, MolPort-003-925-628, R(-)-3-amino-1,2-propanediol, ACN-S003490, ACT02370, ANW-35158, AKOS005259374, AKOS006339503

Molecular Formula: C3H9NO2Molecular Weight: 91.109060 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: KQIGMPWTAHJUMN-GSVOUGTGSA-N

• 2,3:4,6-Di-O-isopropylidene-2-keto-L-gulonic acid monohydrate
IUPAC Name: (3aR,4aS,8aR,8bS)-2,2,7,7-tetramethyl-4a,5,8a,8b-tetrahydro-[1,3]dioxolo[3,4]furo[1,3-d][1,3]dioxine-3a-carboxylic acid;hydrate | CAS Registry Number: 68539-16-2
Synonyms: Diprogulic Acid, (-)-Diacetone-2-keto-L-gulonic acid monohydrate, SureCN2062735, 179698_ALDRICH, CHEMBL2105554, MolPort-000-736-403, BB_NC-0412, (-)-Diaceton-2-keto-L-gulonsaeure, (-)-Diacetone-2-keto-L-gulonic acid, AKOS015892738, FT-0604372, I04-140, (-)-2,3:4,6-Di-O-isopropylidene-2-keto-L-gulonic acid monohydrate, 2,3:4,6-Di-O-isopropyliden-alpha-L-xylo-2-hexulofuranosonsaeure, 2,3:4,6-Di-O-isopropylidene-alpha-L-xylo-2-hexulofuranosonic acid, (3aS,3bR,7aS,8aR)-2,2,5,5-tetramethyltetrahydro-3aH-[1,3]dioxolo[4',5':4,5]furo[3,2-d][1,3]dioxine-8a-carboxylic acid hydrate

Molecular Formula: C12H20O8Molecular Weight: 292.282400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: ZFQRGFMVXLSLKZ-QCILGFJPSA-N

• (1R)-(-)-(10-Camphorsulfonyl)oxaziridine
Synonyms: ZINC100026936

Molecular Formula: C10H15NO3SMolecular Weight: 229.294 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: GBBJBUGPGFNISJ-HPFPYREMSA-N

• (3S,4R)-4-(4-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine
IUPAC Name: [(3S,4R)-4-(4-fluorophenyl)-1-methylpiperidin-1-ium-3-yl]methanol | CAS Registry Number: 105812-81-5
Synonyms: ZINC02529787, CID7016838, TL8000217, (3S,4R)-4-(4'-Fluorophenyl)-3-hydroxymethyl-1-methylpiperidine

Molecular Formula: C13H19FNO+Molecular Weight: 224.294463 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CXRHUYYZISIIMT-AAEUAGOBSA-O

• (2a,6a,8a,9ab)-, hexahydro-8-hydroxy-, 2,6-Methano-2H-quinolizin-3(4H)-one
Synonyms: Endo-hexahydro-8-hydroxy-2.6- methano-2H-quinolizin-3(4H)-one, Endo-hexahydro-8-hydroxy-2.6-methano-2H-quinolizin-3(4H)-one, AKOS006289237, AKOS016009528, AC-1648, AK-50658, endo-8-Hydroxyhexahydro-1H-2,6-methanoquinolizin-3(2H)-one, Endo-hexahydro-8-hydroxy-2,6-methano-2H-quinolizin-3(4H)-one

Molecular Formula: C10H15NO2Molecular Weight: 181.231600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NEDMCWSHHDYQAJ-VGKQMMLZSA-N

• (R)-(+)-3-(Boc-amino)pyrrolidine
IUPAC Name: tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate | CAS Registry Number: 122536-77-0
Synonyms: (R)-3-(Boc-amino)pyrrolidine, (r)-3-n-boc-aminopyrrolidine, (r)-tert-butyl pyrrolidin-3-ylcarbamate, (3R)-(+)-3-(tert-Butoxycarbonylamino)pyrrolidine, (R)-3-Boc-aminopyrrolidine, (3R)-(+)-3-(Boc-amino)pyrrolidine, tert-butyl N-[(3R)-pyrrolidin-3-yl]carbamate, (R)-3-(+)-(Boc-amino)pyrrolidine, AG-D-48923, (r)-pyrrolidin-3-yl-carbamic acid tert-butyl ester, tert-Butyl (R)-3-pyrrolidinylcarbamate, tert-butyl (3R)-pyrrolidin-3-ylcarbamate, r-3bocap, AC1LTTGB, PubChem11223, SureCN183834, AC1Q1MT8, (r)-3n-boc-aminopyrrolidine, KSC496Q5N, r-3-(boc-amino)-pyrrolidine

Molecular Formula: C9H18N2O2Molecular Weight: 186.251420 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DQQJBEAXSOOCPG-SSDOTTSWSA-N

• (R)-4-N-Boc-2-methylpiperazine
IUPAC Name: tert-butyl (3R)-3-methylpiperazine-1-carboxylate | CAS Registry Number: 163765-44-4
Synonyms: 674761_ALDRICH, (R)-1-Boc-3-methylpiperazine, (R)-4-Boc-2-methylpiperazine, 08571_FLUKA, (R)-2-Methyl-1-Boc-piperazine, FS011292, TL8006206, tert-Butyl (R)-3-methyl-1-piperazinecarboxylate

Molecular Formula: C10H20N2O2Molecular Weight: 200.278000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FMLPQHJYUZTHQS-MRVPVSSYSA-N

• (R)-2-Amino-1-phenylethanol
IUPAC Name: (1R)-2-amino-1-phenylethanol | CAS Registry Number: 2549-14-6
Synonyms: (R)-(-)-2-Amino-1-phenylethanol, (1R)-2-amino-1-phenylethanol, AG-E-78173, PubChem14747, AC1OCV8V, SureCN147501, CHEMBL19363, 494577_ALDRICH, Jsp005052, MolPort-000-001-184, ACT04308, (R)-|A-(Aminomethyl)benzyl alcohol, FD1187, OR3013, (R)-1-PHENYL-2-AMINOETHANOL, (R)-alpha-(Aminomethyl)benzyl alcohol, AKOS005255216, RP20359, (2S)-(+)-2-Hydroxy-2-phenylethylamine, AK-34377

Molecular Formula: C8H11NOMolecular Weight: 137.179040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ULSIYEODSMZIPX-QMMMGPOBSA-N

• (r)-3-Phenylpiperidine
IUPAC Name: (3R)-3-phenylpiperidine | CAS Registry Number: 430461-56-6
Synonyms: (R)-3-Phenyl piperidine, (R)-3-Phenylpiperidine, AG-F-52743, (R)-3-Phenylpiperidine;, SureCN381572, CTK4I6936, Piperidine,3-phenyl-, (3R)-, (3R)-3-PHENYLPIPERIDINE, (R)-3-PHENYL-PIPERIDINE, MolPort-016-579-801, ANW-46441, AKOS006238135, AKOS015840989, AB16326, PIPERIDINE, 3-PHENYL-, (3R)-, AK-86176, KB-03290, W6259

Molecular Formula: C11H15NMolecular Weight: 161.243500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NZYBILDYPCVNMU-NSHDSACASA-N

• (e)-4-(4-Aminostyryl)benzenamine (CAS: 7314-6-9)
• (+)-alpha-Pinene
IUPAC Name: (1R,5R)-4,7,7-trimethylbicyclo[3.1.1]hept-3-ene | CAS Registry Number: 7785-70-8
Synonyms: ()-alpha-Pinene, 1R-(+)-a-pinene, alpha-Pinene(dextro), ALPHA-PINENE, (1R)-()-alpha-Pinene, (1R,5R)-2-Pinene, (1R,5R)-pin-2-ene, P45680_ALDRICH, (+)-Pin-2(3)-ene, W290238_ALDRICH, 147524_ALDRICH, 268070_ALDRICH, 80605_FLUKA, CHEBI:28261, CPD-8754, EINECS 232-087-8, LMPR01020043, (1R,5R)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, C06306, (+)-3,6,6-TRIMETHYLBICYCLO[3.1.1]HEPT-2-ENE

Molecular Formula: C10H16Molecular Weight: 136.234040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GRWFGVWFFZKLTI-RKDXNWHRSA-N

• 5-Bromo-2-hydroxymethylpyridine
IUPAC Name: (5-bromopyridin-2-yl)methanol | CAS Registry Number: 88139-91-7
Synonyms: (5-Bromopyridin-2-yl)methanol, MO 07897

Molecular Formula: C6H6BrNOMolecular Weight: 188.021940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RUCZFWMEACWFER-UHFFFAOYSA-N

• (2R,5R)-5-Hydroxy-1,3-Oxathiolane-2-Carboxylic Acid (1R,2S,5R)-5-Methyl-2-(1-Methylethyl)cyclohexyl Ester
IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 5-hydroxy-1,3-oxathiolane-2-carboxylate | CAS Registry Number: 147126-62-3
Synonyms: ACMC-20n52w, AGN-PC-00P2JF, SureCN13835250, CTK8H0004, (2R,5R)-5-Hydroxy-1,3-oxathiolane-2-carboxylic acid (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, 1,3-Oxathiolane-2-carboxylicacid, 5-hydroxy-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester,(2R,5R)-, A808609, (5-methyl-2-propan-2-yl-cyclohexyl) 5-oxidanyl-1,3-oxathiolane-2-carboxylate, 5-hydroxy-1,3-oxathiolane-2-carboxylic acid (5-methyl-2-propan-2-ylcyclohexyl) ester, [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R,5R)-5-hydroxy-1,3-oxathiolane-2-carboxylate

Molecular Formula: C14H24O4SMolecular Weight: 288.402960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: KXKDZLRTIFHOHW-UHFFFAOYSA-N

• (1R,2R)-(-)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride
IUPAC Name: (1R,2R)-2-aminocyclopentane-1-carboxylic acid;hydrochloride | CAS Registry Number: 158414-44-9
Synonyms: (1R,2R)-2-Aminocyclopentanecarboxylic Acid Hydrochloride, PubChem23258, CTK0H4449, AKOS015901692, AG-E-07535, I14-14521, (1R,2R)-2-aminocyclopentanecarboxylic Acid Hydrochloride Salt, (1R,2R)-(-)-2-Amino-1-cyclopentanecarboxylic acid hydrochloride;, (1R,2R)-2-AMINO-CYCLOPETANECARBOXYLIC ACID HYDROCHLORIDE SALT, Cyclopentanecarboxylicacid, 2-amino-, hydrochloride, (1R-trans)- (9CI)

Molecular Formula: C6H12ClNO2Molecular Weight: 165.617980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LVBDVNLIEHCCTP-TYSVMGFPSA-N

• 4-Amidinophenylacetic acid
IUPAC Name: 2-(4-carbamimidoylphenyl)acetic acid | CAS Registry Number: 39244-83-2
Synonyms: 2-(4-carbamimidoylphenyl)acetic Acid, 4-AMIDINOPHENYLACETIC ACID, (4-Carbamimidoylphenyl)acetic acid, SureCN6940225, CTK4I1180, AKOS006294400, 2-(4-carbamimidoylphenyl)ethanoic acid, AB18250, AG-F-38631, Benzeneacetic acid,4-(aminoiminomethyl)-, KB-188956, (4-CARBAMIMIDOYL-PHENYL)-ACETIC ACID, 4-(AMINOIMINOMETHYL)-BENZENEACETIC ACID, A824485, BENZENEACETIC ACID, 4-(AMINOIMINOMETHYL)-, I01-7991, 4-Amidinophenylaceticacid;p-Amidinophenylacetic acid;

Molecular Formula: C9H10N2O2Molecular Weight: 178.187900 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: SSGFEOFDJDCDCI-UHFFFAOYSA-N

• 2-[(3-Methylphenyl)sulfonyl]acetic acid ethyl ester
IUPAC Name: ethyl 2-(3-methylphenyl)sulfonylacetate | CAS Registry Number: 50397-63-2
Synonyms: 2-[(3-METHYLPHENYL)SULFONYL]ACETIC ACID ETHYL ESTER, Ethyl [(3-methylphenyl)sulfonyl]acetate, AC1LBPNI, SureCN7509196, AKOS010494629, ethyl 2-(3-methylphenyl)sulfonylacetate, KB-166364, Acetic acid, [(3-methylphenyl)sulfonyl]-, ethyl ester

Molecular Formula: C11H14O4SMolecular Weight: 242.291460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: DKBHHMLGBAWFQI-UHFFFAOYSA-N

• (2-Oxo-2H-pyridin-1-yl)acetic acid
IUPAC Name: 2-(2-oxopyridin-1-yl)acetate | CAS Registry Number: 56546-36-2
Synonyms: ZINC00336881, CID6946881

Molecular Formula: C7H6NO3-Molecular Weight: 152.127440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VMONVJKJUDZYIE-UHFFFAOYSA-M

• (5R)-5-(Chloromethyl)-3-(3-fluorophenyl)-2-oxazolidinone
IUPAC Name: 5-(chloromethyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one | CAS Registry Number: 879215-66-4
Synonyms: (5R)-5-(CHLOROMETHYL)-3-(3-FLUOROPHENYL)-2-OXAZOLIDINONE, AGN-PC-00EA1U, AKOS013605077, (5R)-5-(chloromethyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one

Molecular Formula: C10H9ClFNO2Molecular Weight: 229.635363 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LQGKTOFWKSAAEK-UHFFFAOYSA-N

• (R)-N-Benzyl-3-AminoPyrrolidine
IUPAC Name: (3R)-1-(phenylmethyl)pyrrolidin-3-amine | CAS Registry Number: 114715-39-8
Synonyms: 1-Benzyl-3-aminopyrrolidine, 536601_ALDRICH, (R)-1-benzyl-3-Aminopyrrolidine, C-3151R, SL-02159, TL8000416, (R)-(−)-1-Benzyl-3-aminopyrrolidine

Molecular Formula: C11H16N2Molecular Weight: 176.258140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HBVNLKQGRZPGRP-LLVKDONJSA-N

• 3-Hydroxymethylphenylboronic Acid
IUPAC Name: [3-(hydroxymethyl)phenyl]boronic acid | CAS Registry Number: 87199-15-3
Synonyms: 3-(Hydroxymethyl)phenylboronic acid, 512834_ALDRICH, BM436, TL8005659

Molecular Formula: C7H9BO3Molecular Weight: 151.955560 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: HGTDLKXUWVKLQX-UHFFFAOYSA-N

• (5-Methyl-3-Phenylisoxazol-4-Yl)methanol
IUPAC Name: (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol | CAS Registry Number: 18718-79-1
Synonyms: (5-METHYL-3-PHENYLISOXAZOL-4-YL)METHANOL, (5-methyl-3-phenyl-4-isoxazolyl)methanol, (5-methyl-3-phenyl-1,2-oxazol-4-yl)methanol, AG-E-36242, ZINC00158498, PubChem8424, AC1MCQR3, SureCN107436, AC1Q2FC5, CTK4D9438, MolPort-000-142-141, ACT07578, ANW-58495, SBB090948, AKOS005255134, AG-A-05918, CC00509, RP03652, SDCCGMLS-0065904.P001, 4-Isoxazolemethanol,5-methyl-3-phenyl-

Molecular Formula: C11H11NO2Molecular Weight: 189.210540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GHGWDZCXZRWQBG-UHFFFAOYSA-N

• 8-Azabicyclo[3.2.1]octane, 3-[3-Methyl-5-(1-Methylethyl)-4h-1,2,4-Triazol-4-Yl]-, (3-Exo)-
IUPAC Name: (1R,5S)-3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane | CAS Registry Number: 423165-07-5
Synonyms: (1R,3s,5S)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane, Maraviroc intermediate, SureCN13543096, SureCN13543097, MolPort-008-155-913, AKOS015918410, AK103286, KB-105489, FT-0665937, I14-8435, (1R,3S,5S)-3-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane, (3-exo)-3-(3-Isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octane, (3-exo)-3-[3-Methyl-5-(prop-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]octane, 4-[(3-exo)-8-Azabicyclo[3.2.1]oct-3-yl]-3-isopropyl-5-methyl-4H-1,2,4-triazole

Molecular Formula: C13H22N4Molecular Weight: 234.340580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CEIRCCADSFHOQD-FOSCPWQOSA-N

• 2-Propenal, 3-[2-Cyclopropyl-4-(4-Fluorophenyl)-3-Quinolinyl]-, (2E)-
IUPAC Name: 3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-enal | CAS Registry Number: 148901-68-2
Synonyms: 2-Propenal,3-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-, 121660-63-7, (E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl-2-propenal, ACMC-20mpm1, CTK4B2582, CTK8G6928, AG-D-46953, A24870, (E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-en-1-al, 3-[2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-enal;(2E)-3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-enal;(2E)-3-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]prop-2-enal;2-propenal, 3-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-, (2E)-;(E)-3-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl-2-propenal;

Molecular Formula: C21H16FNOMolecular Weight: 317.356243 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WULPWIFGZFQFEQ-UHFFFAOYSA-N

• (3S,4S)-(+)-1-Benzyl-3,4-Pyrrolidinediol
IUPAC Name: (3S,4S)-1-benzylpyrrolidin-1-ium-3,4-diol | CAS Registry Number: 90365-74-5
Synonyms: ZINC02572368, CID7021492

Molecular Formula: C11H16NO2+Molecular Weight: 194.250240 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: QJRIUWQPJVPYSO-QWRGUYRKSA-O

• (4R)-4-(2-Hydroxyethyl)-2,2-Dimethyl-1,3-Dioxolane
IUPAC Name: 2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanol | CAS Registry Number: 70005-89-9
Synonyms: (4R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane, (R)-4-(2-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane, (R)-2-(2,2-Dimethyl-1,3-dioxolan-4-yl)ethanol, (R)-2,2-Dimethyl-4-hydroxyethyl-[1,3]dioxolane, PubChem20499, SureCN649656, 331074_ALDRICH, CTK5D1675, ANW-35812, ZINC02583388, AKOS015856464, AG-G-73180, AK-36152, A9255, H1188, 1,3-Dioxolane-4-ethanol,2,2-dimethyl-, (4R)-, I14-45835

Molecular Formula: C7H14O3Molecular Weight: 146.184260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YYEZYENJAMOWHW-ZCFIWIBFSA-N

• (R)-3-Aminopentanoic Acid Hydrochloride
IUPAC Name: (3R)-3-aminopentanoic acid;hydrochloride | CAS Registry Number: 952650-02-1
Synonyms: (R)-3-aminopentanoic acid hydrochloride, AKOS016014763, RL06006, AK131267, KB-03186, (R)-3-Aminopentanoic Acid Hydrochloride Salt

Molecular Formula: C5H12ClNO2Molecular Weight: 153.607280 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: FERWBHFUQDIXNF-PGMHMLKASA-N

• (R)-2-Phenylpyrrolidine Hydrochloride
IUPAC Name: (2R)-2-phenylpyrrolidine;hydrochloride | CAS Registry Number: 56523-48-9
Synonyms: (R)-2-Phenylpyrrolidine Hydrochloride Salt, (R)-2-phenylpyrrolidine hydrochloride, PubChem23242, AK142755, I14-14532

Molecular Formula: C10H14ClNMolecular Weight: 183.677860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: QVSABGBFWNYAQG-HNCPQSOCSA-N

• (R)-1-CBZ-Pyrrolidine-3-Carboxylic Acid
IUPAC Name: (3R)-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid | CAS Registry Number: 192214-06-5
Synonyms: AmbTiC67151, MolPort-000-002-825, (R)-1-Cbz-pyrrolidine-3-carboxylic acid, C67151

Molecular Formula: C13H15NO4Molecular Weight: 249.262500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JSASVUTVTRNJHA-LLVKDONJSA-N

• (2-Benzothiazolylthio)acetic Acid
IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)acetic acid | CAS Registry Number: 6295-57-4
Synonyms: ChemDiv1_000008, 2-Carboxymethylthiobenzothiazole, CBDivE_001818, MLS000714418, MLS000737963, 2-(Carboxymethylthio)benzothiazole, Acetic acid, (2-benzothiazolylthio)-, S-2-(Benzothiazolylthio)glycolic acid, TOS-BB-1234, 2-(2-Benzothiazolylthio)acetic acid, MolPort-000-436-582, WLN: T56 BN DSJ CS1VQ, (Benzothiazol-2-ylthio)acetic acid, S-2-Benzothiazolylthioglycolic acid, ALBB-005192, CID80525, NSC11891, EINECS 228-565-0, NSC 11891, STK395241

Molecular Formula: C9H7NO2S2Molecular Weight: 225.287380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZZUQWNYNSKJLPI-UHFFFAOYSA-N

• 3-(Dimethylamino)-L-Alanine
IUPAC Name: (2S)-2-amino-3-(dimethylamino)propanoic acid | CAS Registry Number: 10138-99-5
Synonyms: Azaleucine, 4-Azaleucine, L-4-Azaleucine, L-4-Azaleucin, 3-(Dimethylamino)alanine, beta-(Dimethylamino)alanine, L-Alanine, 3-(dimethylamino)-, Alanine, 3-(dimethylamino)-, 2-Amino-3-dimethylaminopropionic acid, 2-Amino-3-(dimethylamino)propionic acid, CID160768, Alanine, 3-(dimethylamino)- (9CI), Propionic acid, 2-amino-3-(dimethylamino)-, LS-124483, LS-124484, Propionic acid, 2-amino-3-(dimethylamino)-, L-, 4746-36-5

Molecular Formula: C5H12N2O2Molecular Weight: 132.160980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KEZRWUUMKVVUPT-BYPYZUCNSA-N

• (3-Chlorophenyl)carbamic chloride
IUPAC Name: N-(3-chlorophenyl)carbamoyl chloride | CAS Registry Number: 51028-36-5
Synonyms: (3-CHLOROPHENYL)CARBAMIC CHLORIDE, KB-207287

Molecular Formula: C7H5Cl2NOMolecular Weight: 190.026700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PTPFCDUAUCDTRW-UHFFFAOYSA-N

• (3R,5S)-1-(2-Fluoro-4-nitrophenyl)-3,5-dimethylpiperazine
IUPAC Name: 1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpiperazine | CAS Registry Number: 866538-93-4
Synonyms: (3R,5S)-1-(2-FLUORO-4-NITROPHENYL)-3,5-DIMETHYLPIPERAZINE, SureCN1046567, AKOS011878336

Molecular Formula: C12H16FN3O2Molecular Weight: 253.272743 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: SGDDNVFDBUIQAT-UHFFFAOYSA-N

• 3-Chloro-1 2-Propanediol Acetonide
IUPAC Name: (4R)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane | CAS Registry Number: 57044-24-3
Synonyms: (R)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane, (R)-(+)-4-(Chloromethyl)-2,2-dimethyl-1,3-dioxolane, (4R)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane, (S)-4-Chloromethyl-2,2-dimethyl-1,3-dioxolane, 60456-22-6, PubChem14074, AC1Q2CUG, (S)-4-(chloromethyl)-2,2-dimethyl-1,3-dioxolane, AC1MC15F, SureCN1204186, KSC911S2R, 456136_ALDRICH, CTK8B1928, MolPort-001-792-919, ANW-32624, ZINC00152342, AKOS006239595, AKOS015848752, AC-6919, LS30256

Molecular Formula: C6H11ClO2Molecular Weight: 150.603340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BNPOTXLWPZOESZ-YFKPBYRVSA-N

• 3,4-Dimethoxyphenylacetic Acid
IUPAC Name: 2-(3,4-dimethoxyphenyl)acetic acid | CAS Registry Number: 93-40-3
Synonyms: Homoveratric acid, 3,4-Dimethoxyphenylacetic acid, Benzeneacetic acid, 3,4-dimethoxy-, ChemDiv3_014360, Acetic acid, (3,4-dimethoxyphenyl)-, 3,4-Dimethoxybenzeneacetic acid, 3,4-Dimethoxyphenyl acetic acid, D135909_ALDRICH, (3,4-DIMETHOXYPHENYL)ACETIC ACID, NSC 2753, 53650_FLUKA, EINECS 202-244-5, NSC2753, 3,4-(Dimethoxy)benzeneacetic acid, 3,4-(Dimethoxyphenyl) acetic acid, NSC27897, BRN 1110282, AI3-23354, IDI1_030158, LS-11803

Molecular Formula: C10H12O4Molecular Weight: 196.199880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WUAXWQRULBZETB-UHFFFAOYSA-N

• (R)-2-Nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol
IUPAC Name: (6R)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-ol | CAS Registry Number: 187235-13-8
Synonyms: SureCN65130, CTK4D9463, MolPort-002-501-431, ANW-61223, ZINC12647625, AKOS006288152, AC-6402, AG-E-36299, AK-54602, KB-209918, 5H-Imidazo[2,1-b][1,3]oxazin-6-ol,6,7-dihydro-2-nitro-, (6R)-, 5H-Imidazo[2,1-b][1,3]oxazin-6-ol,6,7-dihydro-2-nitro-, (R)-;

Molecular Formula: C6H7N3O4Molecular Weight: 185.137480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: HMFPMGBWSFUHEN-SCSAIBSYSA-N

• (2S,4S)-4-Fluoro-1,2-Pyrrolidinedicarboxylic Acid 2-Methyl 1-(phenylmethyl) Ester
IUPAC Name: 1-O-benzyl 2-O-methyl (2S,4S)-4-fluoropyrrolidine-1,2-dicarboxylate | CAS Registry Number: 72180-14-4
Synonyms: (2S,4S)-1-benzyl-2-methy-4-fluoropyrrolidine-1,2-dicarboxylate, SureCN1336271, MolPort-016-578-671, A9406, FT-0682215, 1-benzyl 2-methyl (2S,4S)-4-fluoropyrrolidine-1,2-dicarboxylate, (2S,4S)-1-BENZYL 2-METHYL 4-FLUOROPYRROLIDINE-1,2-DICARBOXYLATE, (2S,4S)-1-(benzyloxycarbonyl)-4-fluoro-2-methylpyrrolidine-2-carboxylic acid

Molecular Formula: C14H16FNO4Molecular Weight: 281.279543 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: FDPGMTFRBRCTSR-RYUDHWBXSA-N

• (3B,25R)-3-Methoxy-Spirost-5-Ene
Synonyms: O-methyl 3-|A-hydroxy-5-spirostene

Molecular Formula: C28H44O3Molecular Weight: 428.647160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: FYKWZPWUJTYKJY-RAKZMQEMSA-N

• (1S,2S)-2-Aminocyclopentanecarboxylic Acid Hydrochloride
IUPAC Name: (1S,2S)-2-aminocyclopentane-1-carboxylic acid;hydrochloride | CAS Registry Number: 359849-58-4
Synonyms: (1R,2S)-Cispentacin Hydrochloride, (1S,2S)-2-aminocyclopentanecarboxylic Acid Hydrochloride, (-)-Cispentacin hydrochloride, 128110-37-2, PubChem23259, (1R,2S)-2-Amino-cyclopentanecarboxylic acid hydrochloride, CTK8E9415, Antibiotic FR 109615 Hydrochloride, (-)-(1R,2S)-Cispentacin Hydrochloride, (1S,2S)-2-aminocyclopentanecarboxylic Acid Hydrochloride Salt, cis-(1R,2S)-2-Aminocyclopentane-1-carboxylic Acid Hydrochloride, (1S,2S)-2-AMINO-CYCLOPETANECARBOXYLIC ACID HYDROCHLORIDE SALT

Molecular Formula: C6H12ClNO2Molecular Weight: 165.617980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LVBDVNLIEHCCTP-FHAQVOQBSA-N

• 5-Oxazolidinone, 3-Benzoyl-4-Ethyl-4-Methyl-2-Phenyl-, (2S-Trans)- (9CI)
IUPAC Name: (2S,4R)-3-benzoyl-4-ethyl-4-methyl-2-phenyl-1,3-oxazolidin-5-one | CAS Registry Number: 118995-18-9
Synonyms: (2S,4R)-3-BENZOYL-4-ETHYL-4-METHYL-2-PHENYL-OXAZOLIDIN-5-ONE, (2S,4R)-3-benzoyl-4-ethyl-4-methyl-2-phenyloxazolidin-5-one, 5-Oxazolidinone,3-benzoyl-4-ethyl-4-methyl-2-phenyl-, (2S-trans)- (9CI), CTK4B0996, ZINC12648293, AG-D-41550, AK-55308, A13788

Molecular Formula: C19H19NO3Molecular Weight: 309.359060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DYWWDZQRZYAPHQ-PKOBYXMFSA-N


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