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Kunshan Boke Chemicals Co., Ltd.

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Address: 4 West Shengxiang Road, Qiangdeng Township, Kunshan, Jiangsu 215341, China
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Profile: Kunshan Boke Chemicals Co., Ltd. develops pharmaceutical and agrochemical intermediates. Our products include pyrroles, piperidines, pyridines, 5-fluorocytidine, gemcitabine HCl intermediate, 1H,1H-pentadecafluorooctylamine and glycinamide hydrochloride.

48 Products/Chemicals (Click for related suppliers)  
• Diethyl 2,4-dimethyl-1H-pyrrole-3,5-dicarboxylate
IUPAC Name: diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate | CAS Registry Number: 2436-79-5
Synonyms: Knorr's pyrrole, Maybridge1_002159, Oprea1_504281, Oprea1_790616, CBDivE_014124, D93201_ALDRICH, MLS000100631, NSC2046, NSC5685, AIDS019606, AIDS-019606, EINECS 219-431-2, ZINC00097687, 2,4-Dimethyl-3,5-dicarbethoxypyrrole, BAS 15364891, SMR000015719, Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate, AI3-19854, TL8002005, 1H-Pyrrole, 2,4-dimethyl-3,5-diethoxycarbonyl-

Molecular Formula: C12H17NO4Molecular Weight: 239.267680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: XSBSXJAYEPDGSF-UHFFFAOYSA-N

• Ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
IUPAC Name: ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate | CAS Registry Number: 2199-59-9
Synonyms: NSC13426, ZINC01729614, SL-00002, 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester, 1H-Pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester

Molecular Formula: C10H13NO3Molecular Weight: 195.215120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GDISALBEIGGPER-UHFFFAOYSA-N

• Propynoic Acid Amide
IUPAC Name: prop-2-ynamide | CAS Registry Number: 7341-96-0
Synonyms: Propiolamide, 2-Propynamide, prop-2-ynamide, propiolic acid amide, HC.equiv.CCONH2, HC.$.CCONH2, CHEBI:51764, NSC520954, CID101445, ZINC01604909

Molecular Formula: C3H3NOMolecular Weight: 69.062020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HCJTYESURSHXNB-UHFFFAOYSA-N

• Pyrrole-2-Carboxaldehyde
IUPAC Name: 1H-pyrrole-2-carbaldehyde | CAS Registry Number: 1003-29-8
Synonyms: 2-Formylpyrrole, Pyrrole-2-aldehyde, PYRROLE-2-CARBOXALDEHYDE, 1H-Pyrrole-2-carboxaldehyde, 2-Pyrrolecarbaldehyde, 2-Pyrrolylcarboxaldehyde, 2-Pyrrolecarboxaldehyde, Pyrrole-2-carbaldehyde, 1H-Pyrrole-2-carbaldehyde, P73404_ALDRICH, Pyrrole-2-carboxaldehyde (8CI), NSC66394, EINECS 213-705-5, NSC 66394, NSC112885, SBB004389, ZINC01069171, NSC 112885, AI3-35104, TL80073583

Molecular Formula: C5H5NOMolecular Weight: 95.099300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZSKGQVFRTSEPJT-UHFFFAOYSA-N

• Pyrrole-2-carboxylic acid ethyl ester
IUPAC Name: ethyl 1H-pyrrole-2-carboxylate | CAS Registry Number: 2199-43-1
Synonyms: Ethyl 2-pyrrolecarboxylate, NCIOpen2_000674, Ethyl 1H-pyrrole-2-carboxylate, NSC81360, Pyrrole-2-carboxylic acid, ethyl ester, 1H-Pyrrole-2-carboxylic acid, ethyl ester, ZINC00165736, 3X-0740, InChI=1/C7H9NO2/c1-2-10-7(9)6-4-3-5-8-6/h3-5,8H,2H2,1H

Molecular Formula: C7H9NO2Molecular Weight: 139.151860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PAEYAKGINDQUCT-UHFFFAOYSA-N

• Pyrrole-2-carboxylicacid
IUPAC Name: 1H-pyrrole-2-carboxylic acid | CAS Registry Number: 634-97-9
Synonyms: Minaline, Minalin, 2-Minaline, 1H-Pyrrole-2-carboxylic acid, Pyrrole-2-carboxylate, 2-Pyrrolecarboxylic acid, PYRROLE-2-CARBOXYLIC ACID, 2-CARBOXYPYRROLE, P73609_ALDRICH, 83235_FLUKA, 83237_FLUKA, CHEBI:36751, AIDS019601, AIDS-019601, NSC48130, EINECS 211-221-9, NSC 48130, SBB004332, 1H-Pyrrole-2-carboxylic acid (9CI), TL8004427

Molecular Formula: C5H5NO2Molecular Weight: 111.098700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: WRHZVMBBRYBTKZ-UHFFFAOYSA-N

• Pyrrole-3-Carboxylic Acid
IUPAC Name: 1H-pyrrole-3-carboxylate | CAS Registry Number: 336100-46-0
Synonyms: ZINC02570110, CID7021181

Molecular Formula: C5H4NO2-Molecular Weight: 110.090760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DOYOPBSXEIZLRE-UHFFFAOYSA-M

• R-Glycerol Acetonide
IUPAC Name: (2,2-dimethyl-1,3-dioxolan-4-yl)methanol | CAS Registry Number: 14347-78-5
Synonyms: Solketal, Glycerolacetone, Dioxolan, Acetone glycerol, Glycerol dimethylketal, Isopropylidene glycerol, Glycerol acetonide, DIOXOLANE, D-Acetone glycerol, Acetone monoglycerol ketal, Ambap651, Glycerinisopropylidene ether, 1,2-Isopropylideneglycerin, 1,2-Isopropylideneglycerol, 2,3-Isopropylideneglycerol, Glycerol acetonide (VAN), 1,2-O-Isopropylideneglycerol, 1,2-O,O-Isopropylideneglycerin, Glycerol, 1,2-O-isopropylidene, 2,3-(Isopropylidenedioxy)propanol

Molecular Formula: C6H12O3Molecular Weight: 132.157680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RNVYQYLELCKWAN-UHFFFAOYSA-N

• 7-Nitrotetralone
IUPAC Name: 7-nitro-3,4-dihydro-2H-naphthalen-1-one | CAS Registry Number: 40353-34-2
Synonyms: 7-Nitro-1-tetralone, WLN: L66 BVT&J INW, EINECS 254-887-6, NSC 184729, NSC78452, 3,4-Dihydro-7-nitro-1(2H)-naphthalenone, BRN 1570515, NSC184729, ZINC03880887, 1(2H)-NAPHTHALENONE, 3,4-DIHYDRO-7-NITRO-, 3,4-Dihydro-7-nitronaphthalen-1(2H)-one, LS-95080, 3-07-00-01423 (Beilstein Handbook Reference), A3483/0147772

Molecular Formula: C10H9NO3Molecular Weight: 191.183360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GWAQYWSNCVEJMW-UHFFFAOYSA-N

• 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid
IUPAC Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid | CAS Registry Number: 5434-29-7
Synonyms: Oprea1_664742, AIDS019605, AIDS-019605, NSC15758, 3,5-Dimethyl-2,4-pyrroledicarboxylic acid

Molecular Formula: C8H9NO4Molecular Weight: 183.161360 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: LGAFIBCWNKPENX-UHFFFAOYSA-N

• 3,5-Dimethyl-1H-pyrrole-2- carboxylic acid
IUPAC Name: 3,5-dimethyl-1H-pyrrole-2-carboxylic acid | CAS Registry Number: 4513-93-3
Synonyms: 3,5-dimethyl-1H-pyrrole-2-carboxylic acid, 3,5-Dimethylpyrrole-2-carboxylic acid, 2-Carboxy-3,5-dimethyl-1H-pyrrole, ChemDiv2_003220, AC1MCQZT, PubChem23985, SureCN1044787, AC1Q2I01, CTK1D5760, MolPort-000-876-918, HMS1378C08, ANW-58963, SBB005435, AKOS002665003, AB12161, AC-6177, AG-F-57321, MCULE-2081653650, OR23278, RP20531

Molecular Formula: C7H9NO2Molecular Weight: 139.151860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XQGVQRPSTODODM-UHFFFAOYSA-N

• 6-Methoxy-3,4-Dihydro-2(1h)-Quinolinone
IUPAC Name: 6-methoxy-3,4-dihydro-1H-quinolin-2-one | CAS Registry Number: 54197-64-7
Synonyms: 6-methoxy-3,4-dihydro-1H-quinolin-2-one, 6-Methoxy-3,4-dihydro-2(1H)-quinolinone, 6-methoxy-3,4-dihydroquinolin-2(1H)-one, 6-Methoxy-2-oxo-1,2,3,4-tetrahydroquiniline, 2(1H)-QUINOLINONE, 3,4-DIHYDRO-6-METHOXY-, AGN-PC-0CYPLE, SureCN1764375, CHEMBL102738, CTK4J9958, MolPort-001-770-973, ANW-73705, OR9941, ZINC03880893, AKOS006344957, AC-6189, AG-F-87437, MB02321, 6-methoxy-3,4-dihydro-2(1h)quinolinone, AK-30530, AM807256

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XHKXYVRULOMTOW-UHFFFAOYSA-N

• 1H,1H-Perfluorooctylamine
IUPAC Name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-amine | CAS Registry Number: 307-29-9
Synonyms: 1H,1H-Pentadecafluorooctylamine, CHEBI:393481, CID136148, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluoro-octylamine

Molecular Formula: C8H4F15NMolecular Weight: 399.100108 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 16

InChIKey: HZCZXRSVKNFILZ-UHFFFAOYSA-N

• 4,6-Dichloro-5-methylpyrimidine
IUPAC Name: 4,6-dichloro-5-methylpyrimidine | CAS Registry Number: 4316-97-6
Synonyms: 4,6-Dichloro-5-methyl-pyrimidine, AG-F-53144, AC-907/34115055, ZINC00334079, PubChem13429, AC1LGC6A, AC1Q2QGP, ACMC-209jt4, KSC490S5P, 595446_ALDRICH, CTK3J0957, MolPort-001-770-644, ACN-S003285, ACT01594, ANW-29942, AR-1F8633, BBL025776, SBB087663, STL352592, 4,6-Dichloro-5-methyl-1,3-diazine

Molecular Formula: C5H4Cl2N2Molecular Weight: 163.004660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: NUEYDUKUIXVKNB-UHFFFAOYSA-N

• 1h-Imidazole, 5-Ethyl-2-Methyl-
IUPAC Name: 5-ethyl-2-methyl-1H-imidazole | CAS Registry Number: 29239-89-2
Synonyms: 2-Methyl-4-ethylimidazole, SureCN152067, SureCN889370, 4-ethyl-2-methyl-1H-imidazole, CTK8I0500, AKOS006350131, AC-6186, QC-7431, KB-173702

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

InChIKey: RIAHASMJDOMQER-UHFFFAOYSA-N

• 2,4-Dimethyl-3-Ethylpyrrole
IUPAC Name: 3-ethyl-2,4-dimethyl-1H-pyrrole | CAS Registry Number: 517-22-6
Synonyms: Kryptopyrrole, Cryptopyrrole, Kryptopyrrol, Mauve factor, 3-Ethyl-2,4-dimethylpyrrole, 2,4-Dimethyl-3-ethylpyrrole, 1H-Pyrrole, 3-ethyl-2,4-dimethyl-, 3-Ethyl-2,4-dimethyl-1H-pyrrole, D158402_ALDRICH, PYRROLE, 3-ETHYL-2,4-DIMETHYL-, 40226_FLUKA, EINECS 208-234-7, NSC 62025, NSC62025, BRN 0107089, SBB004274, ZINC01690960, LS-136969, 1H-Pyrrole, 3-ethyl-2,4-dimethyl- (9CI), 5-20-05-00099 (Beilstein Handbook Reference)

Molecular Formula: C8H13NMolecular Weight: 123.195520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZEBBLOXDLGIMEG-UHFFFAOYSA-N

• 2-Aminoacetophenonehydrochloride
IUPAC Name: 2-(4-methylanilino)-1,3-thiazol-4-one | CAS Registry Number: 5468-37-1
Synonyms: CBMicro_020708, MLS000523635, 2-p-Tolylimino-thiazolidin-4-one, STK000201, ZINC00549785, ZINC01231751, ZINC01231752, BAS 00342586, SMR000122708, BIM-0020736.P001, ST5159865, Thiazolidin-4-one, 2-(4-methylphenylimino)-, (2E)-2-[(4-Methylphenyl)imino]-1,3-thiazolidin-4-one, 17385-68-1

Molecular Formula: C10H10N2OSMolecular Weight: 206.264200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LWRUIMYWCYBHAP-UHFFFAOYSA-N

• 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid 2-tert-butyl ester 4-ethyl ester
IUPAC Name: 2-O-tert-butyl 4-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate | CAS Registry Number: 86770-31-2
Synonyms: 3,5-dimethylpyrrole-2,4-dicarboxylic acid 2-t-butyl ester-4-ethyl ester, 2-tert-butyl 4-ethyl 3,5-dimethyl-1h-pyrrole-2,4-dicarboxylate, SBB053902, 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylicacid, t-butyl-2,4-dimethyl-3-carbethoxy pyrrole-5-carboxylate, 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid-2 -butyl-4-ethyl ester, 3,5-dimethyl-1h-pyrrole-2,4-dicarboxylic acid-2-butyl-4-ethyl ester, 3,5-dimethylpyrrole-2,4-dicarboxylic acid 4-ethyl ester-2-t-butyl ester, 3,5-dimethylpyrrole-2,4-dicarboxylic acid 4-ethyl ester-2-tert-butyl ester, 1H-PYRROLE-2,4-DICARBOXYLIC ACID, 3,5-DIMETHYL-, 2-(1,1-DIMETHYLETHYL) 4-ETHYL ESTER, ethyl 5-[(tert-butyl)oxycarbonyl]-2,4-dimethylpyrrole-3-carboxylate, PubChem23989, AC1N8PXZ, SureCN1627629, CTK6F5174, MolPort-001-770-968, ZINC02391900, AKOS015888742, AB11085, AC-4253

Molecular Formula: C14H21NO4Molecular Weight: 267.320840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: CJXJFSNESZDOGK-UHFFFAOYSA-N

• 7-Fluorochroman-4-One
IUPAC Name: 7-fluoro-2,3-dihydrochromen-4-one | CAS Registry Number: 113209-68-0
Synonyms: 7-fluorochroman-4-one, 7-Fluoro-4-chromanone, AG-D-32877, 4H-1-Benzopyran-4-one,7-fluoro-2,3-dihydro-, PubChem17924, ACMC-1BNVW, SureCN569174, AGN-PC-0029SW, CTK4A8145, MolPort-009-199-300, ANW-49222, SBB068495, ZINC22116111, AKOS005146416, 7-fluoranyl-2,3-dihydrochromen-4-one, AC-6191, RP22875, AK-30532, BR-30532, KB-38948

Molecular Formula: C9H7FO2Molecular Weight: 166.149083 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: HRPULQFHSZKTNA-UHFFFAOYSA-N

• 2,4-Dimethylpyrrole
IUPAC Name: 2,4-dimethyl-1H-pyrrole | CAS Registry Number: 625-82-1
Synonyms: Pyrrole, 2,4-dimethyl-, 2,4-Dimethyl-1H-pyrrole, 1H-Pyrrole, 2,4-dimethyl-, 390836_ALDRICH, NSC81347, EINECS 210-912-2, ZINC01574400, TL8004194, InChI=1/C6H9N/c1-5-3-6(2)7-4-5/h3-4,7H,1-2H

Molecular Formula: C6H9NMolecular Weight: 95.142360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MFFMQGGZCLEMCI-UHFFFAOYSA-N

• 4-Chloro-7-methoxyquinoline
IUPAC Name: 4-chloro-7-methylquinoline | CAS Registry Number: 63136-61-8
Synonyms: 4-Chloro-7-methylquinoline, SureCN317506, CTK8C0776, MolPort-006-170-929, ANW-65257, ZINC32099454, AKOS006283018, AB51456, AG-L-63981, QC-5277, AK102943, KB-190928

Molecular Formula: C10H8ClNMolecular Weight: 177.630220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SLBWENCMEQRYEG-UHFFFAOYSA-N

• 6-Fluoro-4-chromanone
IUPAC Name: 6-fluoro-2,3-dihydrochromen-4-one | CAS Registry Number: 66892-34-0
Synonyms: Maybridge1_007252, 364991_ALDRICH, ZINC00057962, EINECS 266-511-8, CID2733262, ST5405270, 6-Fluoro-2,3-dihydro-4H-1-benzopyran-4-one, InChI=1/C9H7FO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H

Molecular Formula: C9H7FO2Molecular Weight: 166.149083 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SWBBIJZMIGAZHW-UHFFFAOYSA-N

• 1h-Imidazole-4,5-Dimethanol, 2-Phenyl-
IUPAC Name: [4-(hydroxymethyl)-2-phenyl-1H-imidazol-5-yl]methanol | CAS Registry Number: 61698-32-6
Synonyms: EINECS 262-911-1, CID109115, 2-Phenyl-4,5-dihydroxymethylimidazole, 1H-Imidazole-4,5-dimethanol, 2-phenyl-, 4,5-Bis(hydroxymethyl)-2-phenyl-1H-imidazole, 159554-36-6

Molecular Formula: C11H12N2O2Molecular Weight: 204.225180 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: UUQQGGWZVKUCBD-UHFFFAOYSA-N

• 2,4-Dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester
IUPAC Name: ethyl 2,4-dimethyl-1H-pyrrole-3-carboxylate | CAS Registry Number: 2199-51-1
Synonyms: Ambap1106, MLS000516371, NSC13425, CID137481, ZINC01729613, SMR000342505, 1H-Pyrrole-3-carboxylic acid, 2,4-dimethyl-, ethyl ester, InChI=1/C9H13NO2/c1-4-12-9(11)8-6(2)5-10-7(8)3/h5,10H,4H2,1-3H

Molecular Formula: C9H13NO2Molecular Weight: 167.205020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QWSFDUPEOPMXCV-UHFFFAOYSA-N

• 3,5-Dimethyl-1H-pyrrole-2-carboxaldehyde
IUPAC Name: 3,5-dimethyl-1H-pyrrole-2-carbaldehyde | CAS Registry Number: 2199-58-8
Synonyms: 640514_ALDRICH, CID270465, NSC112886, ZINC00076532, 3,5-Dimethylpyrrole-2-carboxaldehyde, 3,5-Dimethyl-1H-pyrrole-2-carbaldehyde, TL8007060, A1941/0081573

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RDFZYUOHJBXMJA-UHFFFAOYSA-N

• 2,4-Dimethyl-3-acetylpyrrole
IUPAC Name: 1-(2,4-dimethyl-1H-pyrrol-3-yl)ethanone | CAS Registry Number: 2386-25-6
Synonyms: 3-Acetyl-2,4-dimethylpyrrole, 3-Acetyl-2,5-dimethyl-pyrrole, A14804_ALDRICH, MLS000047143, 2,4-Dimethylpyrrol-3-yl methyl ketone, EINECS 219-197-1, NSC 10759, NSC 40231, WLN: T5MJ B1 CV1 D1, Ethanone, 1-(2,4-dimethyl-1H-pyrrol-3-yl)-, KETONE, 2,4-DIMETHYLPYRROL-3-YL METHYL, 2,5-Dimethylpyrrol-3-yl methyl ketone, NSC10759, BRN 0109769, BRN 0112096, Ketone, 2,5-dimethyl-3-pyrrolyl methyl, ZINC00076519, AI3-60327, LS-87190, LS-87191

Molecular Formula: C8H11NOMolecular Weight: 137.179040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VGZCKCJMYREIKA-UHFFFAOYSA-N

• 4-Amino-3-iodopyridine
IUPAC Name: 3-iodopyridin-4-amine | CAS Registry Number: 88511-27-7
Synonyms: Ambad157, 3-Iodo-4-aminopyridine, FS002088

Molecular Formula: C5H5IN2Molecular Weight: 220.011070 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZGOCEDVVZKFHSY-UHFFFAOYSA-N

• 1H-pyrrole-3-carbaldehyde
IUPAC Name: 1H-pyrrole-3-carbaldehyde | CAS Registry Number: 7126-39-8
Synonyms: Pyrrole-3-carboxaldehyde, 1H-pyrrole-3-carboxaldehyde, PYRROLE-3-CARBALDEHYDE, 3-Formyl-1H-pyrrole, AC-776/25122024, PubChem18051, ACMC-209oht, AC1LD0DZ, 3-PYRROLECARBOXALDEHYDE, CTK2H7151, MolPort-001-769-445, WT771, ACN-S001609, ACT08971, ANW-36015, SBB052279, WTI-11823, ZINC02581109, AKOS010079808, AB15013

Molecular Formula: C5H5NOMolecular Weight: 95.099300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: CHNYVNOFAWYUEG-UHFFFAOYSA-N

• 3,4-Ethylenedioxypyrrole
IUPAC Name: 3,6-dihydro-2H-[1,4]dioxino[2,3-c]pyrrole | CAS Registry Number: 169616-17-5
Synonyms: EDOP, SureCN182137, 648310_ALDRICH, 3 4-ETHYLENEDIOXYPYRROLE, AKOS006349269, AC-6196, KB-179239, I11-1121

Molecular Formula: C6H7NO2Molecular Weight: 125.125280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IJAMAMPVPZBIQX-UHFFFAOYSA-N

• 5-Fluorocytidine
IUPAC Name: 4-amino-5-fluoro-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one | CAS Registry Number: 10356-76-0
Synonyms: FdCyd, Fluorodeoxycytidine, 2'-Deoxy-5-fluorocytidine, AIDS191762, 5-FLUORO-2'-DEOXYCYTIDINE, AIDS-191762, CID515328, ZINC17311164, TL8000154, 4-Amino-5-fluoro-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one

Molecular Formula: C9H12FN3O4Molecular Weight: 245.207683 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: IDYKCXHJJGMAEV-RRKCRQDMSA-N

• 3-tert-Butyl-2,4-dimethylpyrrole
IUPAC Name: 3-tert-butyl-2,4-dimethyl-1H-pyrrole | CAS Registry Number: 151464-91-4
Synonyms: 3-Butyl-2,4-dimethylpyrrole, 1H-Pyrrole,3-butyl-2,4-dimethyl-, ACMC-20n67y, SureCN9141012, CTK4C7072, 2,4-dimethyl-3-tert-butylpyrrole, ZINC21986527, AKOS006288600, AC-6176, AG-D-98456, KB-94855, I11-0353

Molecular Formula: C10H17NMolecular Weight: 151.248680 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: NVULIPFEBVZBOV-UHFFFAOYSA-N

• 3,5-Dimethyl-1H-pyrrole-2-carboxylic acidethyl ester
IUPAC Name: ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate | CAS Registry Number: 2199-44-2
Synonyms: ARONIS020988, IFLab1_005847, 288926_SIAL, NSC10763, NSC121772, ZINC00038817, SDCCGMLS-0066154.P001, IDI1_011250, Ethyl 3,5-dimethyl-2-pyrrolecarboxylate, ST055086, 1H-Pyrrole-2-carboxylic acid, 3,5-dimethyl-, ethyl ester, EU-0066793, Ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate, 3,5-Dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester, InChI=1/C9H13NO2/c1-4-12-9(11)8-6(2)5-7(3)10-8/h5,10H,4H2,1-3H

Molecular Formula: C9H13NO2Molecular Weight: 167.205020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IZSBSZYFPYIJDI-UHFFFAOYSA-N

• 2-Deoxy-2,2-difluoro-D-erythro-pentafuranous-1-ulose-3,5-dibenzoate (CAS: 12111-01-7)
• 4-Chloro-7-methoxy-quinoline
IUPAC Name: 4-chloro-7-methoxyquinoline | CAS Registry Number: 68500-37-8
Synonyms: UX00002241

Molecular Formula: C10H8ClNOMolecular Weight: 193.629620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UKTYNFPTZDSBLR-UHFFFAOYSA-N

• 2-Deoxy-D-Ribose
IUPAC Name: (2S,4S,5R)-oxane-2,4,5-triol | CAS Registry Number: 533-67-5
Synonyms: Thyminose, D-2-Deoxyribose, D-2-Desoxyribose, 2-Deoxy-alpha-D-ribopyranose, CHEBI:27806, ZINC00164946, 2-deoxy-alpha-D-erythro-pentopyranose, C08347

Molecular Formula: C5H10O4Molecular Weight: 134.130500 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: ZVQAVWAHRUNNPG-LMVFSUKVSA-N

• (R)-3-Amino-Piperidine dihydrochloride
IUPAC Name: (3R)-piperidin-3-amine;dihydrochloride | CAS Registry Number: 334618-23-4
Synonyms: (R)-3-AMINOPIPERIDINE DIHYDROCHLORIDE, (R)-(-)-3-Aminopiperidine dihydrochloride, (R)-3-Piperidinamine dihydrochloride, (R)-3-Aminopiperidine 2hcl, R-3-Aminopiperidine Dihydrochloride, (R)-(-)-3-Aminopiperidine 2HCl, (r)-piperidin-3-amine dihydrochloride, (3R)-piperidin-3-amine dihydrochloride, (R)-3-AminopiperidineDihydrochloride, PubChem3013, SureCN306090, KSC495Q2L, 15626_ALDRICH, 666297_ALDRICH, 15626_FLUKA, CTK3J5825, MolPort-000-000-370, R-3-AMINO PIPERIDINE DIHCL, ACN-S003802, ACT04891

Molecular Formula: C5H14Cl2N2Molecular Weight: 173.084060 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: GGPNYXIOFZLNKW-ZJIMSODOSA-N

• 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid di-tert-buty ester (CAS: 94461-44-6)
• (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

• 6-nitro-chroman-4-one
IUPAC Name: 6-nitro-2,3-dihydrochromen-4-one | CAS Registry Number: 68043-53-8
Synonyms: 6-nitrochroman-4-one, 6-Nitro-chroman-4-one, 6-nitro-2,3-dihydrochromen-4-one, SBB068535, AG-G-59274, AC1NQUAS, 6-Nitro-4-Chromanone, PubChem13368, SureCN2062631, CTK5C7199, MolPort-001-770-969, ANW-73704, ZINC06829264, AKOS006343248, AC-6192, LS40803, RP25227, 2,3-Dihydro-6-nitro-4H-chromen-4-one, AK-30533, AM804223

Molecular Formula: C9H7NO4Molecular Weight: 193.156180 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KUAWMWVXZMQZLD-UHFFFAOYSA-N

• 2-Phenylimidazole
IUPAC Name: 2-phenyl-1H-imidazole | CAS Registry Number: 670-96-2
Synonyms: Phenylimidazole, 2-Phenyl imidazole, 2-Phenyl-1H-imidazole, Imidazole, 2-phenyl-, 1H-Imidazole, 2-phenyl-, 226769_ALDRICH, Imidazole, 2-phenyl- (8CI), EINECS 211-581-7, NSC255226, SBB004131, ZINC00333848, NSC 255226, AI3-50034, TL8004735, 78232-99-2

Molecular Formula: C9H8N2Molecular Weight: 144.173220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZCUJYXPAKHMBAZ-UHFFFAOYSA-N

• 5-Fluorocytidine
IUPAC Name: 4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidin-2-one | CAS Registry Number: 2341-22-2
Synonyms: CYTIDINE, 5-FLUORO-, 543020_ALDRICH, CHEBI:38190, ZINC04255900, LS-59078, TL8001942

Molecular Formula: C9H12FN3O5Molecular Weight: 261.207083 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 7

InChIKey: STRZQWQNZQMHQR-UAKXSSHOSA-N

• 1-Octyn-3-ol
IUPAC Name: oct-1-yn-3-ol | CAS Registry Number: 818-72-4
Synonyms: 1-OCTYN-3-OL, 1-Octyne-3-ol, oct-1-yn-3-ol, Oct-1-yne-3-ol, (1)-Oct-1-yn-3-ol, 127280_ALDRICH, 74973_FLUKA, EINECS 212-455-4, EINECS 253-713-6, BRN 1098642, SBB009107, LS-98164, 3-01-00-01996 (Beilstein Handbook Reference), 37911-28-7

Molecular Formula: C8H14OMolecular Weight: 126.196160 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VUGRNZHKYVHZSN-UHFFFAOYSA-N

• 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
IUPAC Name: 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid | CAS Registry Number: 253870-02-9
Synonyms: 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic Acid, 5-FORMYL-2,4-DIMETHYLPYRROLE-3-CARBOXYLIC ACID, 3,5-Dimethyl-2-formylpyrrole-4-carboxylic acid, 2,4-dimethyl-5-formylpyrrole-3-carboxylic acid, 5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylicacid, 3,5-dimethyl-2-formyl-1h-pyrrole-4-carboxylic acid, SBB053097, 3,5-dimethyl-2-formylindole-4-carboxylic acid, 1H-PYRROLE-3-CARBOXYLIC ACID, 5-FORMYL-2,4-DIMETHYL-, zlchem 714, PubChem9414, ACMC-209zxq, KSC201S7B, Jsp005037, CTK1A1970, ZLD0167, MolPort-001-770-972, ACN-S003126, ACT01686, ANW-50844

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YCIHQDVIAISDPS-UHFFFAOYSA-N

• 4-Aminopyrimidine
IUPAC Name: pyrimidin-4-amine | CAS Registry Number: 591-54-8
Synonyms: 4-Pyrimidinamine, pyrimidin-4-amine, Pyrimidine, 4-amino-, 4-Pyrimidineamine, 6-Aminopyrimidine, Pyrimidin-4-ylamine, 4-Pyrimidinamine (9CI), WLN: T6N CNJ DZ, 261823_ALDRICH, CHEBI:38616, NSC401236, ZINC01593930, NSC 401236, PB316171728, InChI=1/C4H5N3/c5-4-1-2-6-3-7-4/h1-3H,(H2,5,6,7

Molecular Formula: C4H5N3Molecular Weight: 95.102600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OYRRZWATULMEPF-UHFFFAOYSA-N

• 2-Deoxy-2,2-difluoro-d-erythro-pentofuranos-1-ulose-3,5-dibenzoate
IUPAC Name: [(2R,3R)-3-benzoyloxy-4,4-difluoro-5-oxooxolan-2-yl]methyl benzoate | CAS Registry Number: 122111-01-7
Synonyms: 2-Deoxy-2,2-difluoro-D-erythro-pentafuranous-1-ulose-3,5-dibenzoate, SureCN881734, ERY001, 2-Deoxy-2,2-difluoro-D-erythro-pentonic acid |A-lactone 3,5-dibenzoate, CTK7F8528, MolPort-003-986-309, ZINC04975969, AKOS015965558, AC-4262, AG-A-07734, AK-25329, TL8000588, FT-0600773, A804844, 3,5-Bis(benzoyl)-2-deoxy-2,2-difluoro-1-oxoribose, 2-Deoxy-2,2-difluoro-D-erythro-pentafuranous-1-ulose-3,5-dibe nzoate, 2-Deoxyl-2,2-difluoro-D-erythro-pentofuranos-1-ulose-3,5-dibenzoate, D-erythro-Pentonic acid, 2-deoxy-2,2-difluoro-|A-lactone, 3,5-dibenzoate-, D-erythro-Pentonicacid, 2-deoxy-2,2-difluoro--lactone,3,5-dibenzoate, ((2R,3R)-3-(Benzoyloxy)-4,4-difluoro-5-oxotetrahydrofuran-2-yl)methyl benzoate

Molecular Formula: C19H14F2O6Molecular Weight: 376.307666 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: SHHNEUNVMZNOID-HUUCEWRRSA-N

• 3,4-Ethylenedioxythiophene
IUPAC Name: 2,3-dihydrothieno[3,4-b][1,4]dioxine | CAS Registry Number: 126213-50-1
Synonyms: EDOT, 3,4-ethylenedioxy thiophene, 2,3-dihydrothieno[3,4-b][1,4]dioxine, SBB042427, 2H,3H-thiopheno[3,4-e]1,4-dioxane, 2,3-Dihydrothieno(3,4-b)-1,4-dioxin, 2,3-Dihydrothieno[3,4-b]-1,4-dioxin, Thieno(3,4-b)-1,4-dioxin, 2,3-dihydro-, Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro-, PubChem12563, 3,4-ethylendioxythiophen, SureCN33274, ACMC-1C6SU, AC1NA6A9, 3,4-ethyl enedioxythiophene, KSC491I3H, BIDD:GT0025, 483028_ALDRICH, Jsp001672, CTK3J1433

Molecular Formula: C6H6O2SMolecular Weight: 142.175640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GKWLILHTTGWKLQ-UHFFFAOYSA-N

• 5-Deoxy-D-Ribose
IUPAC Name: (2R,3R,4R)-2,3,4-trihydroxypentanal | CAS Registry Number: 13039-75-3
Synonyms: 5'-deoxyribose, (2R,3R,4R)-2,3,4-trihydroxypentanal, 5-desoxy-D-ribose, 5-deoxy-aldehydo-D-ribose, CHEBI:62012, CTK0H3826, MolPort-009-197-695, CPD0-2167, SBB066310, AKOS006310794, D-ribo-2,3,4-trihydroxyvaleraldehyde, AK117260, KB-43072, (2R,3R,4R)-2,3,4-trihydroxyvaleraldehyde, I07-0107

Molecular Formula: C5H10O4Molecular Weight: 134.130500 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: WDRISBUVHBMJEF-MROZADKFSA-N

• 1-[(Benzyloxy)carbonyl]piperidine-3-carboxylic acid
IUPAC Name: 1-(phenylmethoxycarbonyl)piperidine-3-carboxylic acid | CAS Registry Number: 78190-11-1
Synonyms: Oprea1_486455, NSC34059, SBB003078

Molecular Formula: C14H17NO4Molecular Weight: 263.289080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FFLPIVZNYJKKDM-UHFFFAOYSA-N


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