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Profile: Shanghai Pengteng Fine Chemical Co., Ltd. specializes in manufacture, chemical synthesis, medicinal chemistry, and pharmaceutical development of APIs, and their intermediates. Benzene, heterocyclic, chiral, deuterium, API, biochem, and fluorochemicals.

1 to 50 of 101 Products/Chemicals (Click for related suppliers)  Page: [1] 2 3 >> Next 50 Results
• Abiraterone
IUPAC Name: (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol | CAS Registry Number: 154229-19-3
Synonyms: UNII-G819A456D0, CHEBI:522175, CID132971, ZINC03797541, CB 7598, CB-7598, 17-(3-Pyridyl)androsta-5,16-dien-3beta-ol, Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, (3beta)-, (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Molecular Formula: C24H31NOMolecular Weight: 349.509040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GZOSMCIZMLWJML-VJLLXTKPSA-N

• Abiraterone acetate
IUPAC Name: [(3S,10R,13S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate | CAS Registry Number: 154229-18-2
Synonyms: UNII-EM5OCB9YJ6, CB 7630, CB-7630, CID132970, LS-182008, 17-(3-Pyridyl)-5,16-androstadien-3beta-acetate, Androsta-5,16-dien-3-ol, 17-(3-pyridinyl)-, acetate (ester), (3beta)-

Molecular Formula: C26H33NO2Molecular Weight: 391.545720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UVIQSJCZCSLXRZ-HMMZIKKISA-N

• Ac-D-Phe-OH
IUPAC Name: (2R)-2-acetamido-3-phenylpropanoic acid | CAS Registry Number: 10172-89-1
Synonyms: N-Acetyl-D-phenylalanine, N-Acetyl-3-phenyl-D-alanine, A3876_SIGMA, ACETYL-DL-PHENYLALANINE, CHEBI:28203, EINECS 233-447-7, BTB 13557, C05620, 7782-51-6

Molecular Formula: C11H13NO3Molecular Weight: 207.225820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CBQJSKKFNMDLON-SNVBAGLBSA-N

• Anacetrapib
IUPAC Name: (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one | CAS Registry Number: 875446-37-0
Synonyms: UNII-P7T269PR6S, MK0859, MK-0859, CID11556427, CID 11556427

Molecular Formula: C30H25F10NO3Molecular Weight: 637.508432 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 13

InChIKey: MZZLGJHLQGUVPN-HAWMADMCSA-N

• Cladribine
IUPAC Name: (2R,3S,5R)-5-(6-amino-2-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol | CAS Registry Number: 4291-63-8
Synonyms: Leustatin, Chlorodeoxyadenosine, Cladarabine, 2-Chlorodeoxyadenosine, 2-Chloro-2'-deoxyadenosine, Leustatin (TN), 2-CdA, 2 Chlorodeoxyadenosine, 2CdA, 2-Chloro-2'-deoxy-beta-adenosine, MLS000028377, MLS000028484, MLS000759397, MLS001077345, Cladribine (JAN/USAN/INN), Cladribine [USAN:BAN:INN], Cladribine [USAN:INN:BAN], Adenosine, 2-chloro-2'-deoxy, C10H12ClN5O3.C3H8, NSC 105014-F

Molecular Formula: C10H12ClN5O3Molecular Weight: 285.686980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: PTOAARAWEBMLNO-KVQBGUIXSA-N

• Custom Fine Chemicals
• Dihydro-FK 506
Synonyms: Tsukubamycin B, Dihydro Tacrolimus, Dihydro FK-506

Molecular Formula: C44H71NO12Molecular Weight: 806.034040 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 12

InChIKey: RQYGKZGKXDOUEO-WESPKWAGSA-N

• Dihydrokavain
IUPAC Name: 4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one | CAS Registry Number: 587-63-3
Synonyms: Dihydrokawain, Marindinin, Kavain, dihydro-, Kawain, dihydro-, 7,8-Dihydrokawain, 7,8-Dihydro-kawain, NSC 112163, NSC23875, NSC112163, NCGC00091919-01, LS-127433, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-phenethyl-, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethyl)-, (S)-, 4-methoxy-6-(2-phenylethyl)-5,6-dihydro-2H-pyran-2-one, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(2-phenylethyl)-, (S)- (9CI), DHK, 19451-52-6, 19902-90-0, 24576-85-0, 3384-26-7

Molecular Formula: C14H16O3Molecular Weight: 232.275040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VOOYTQRREPYRIW-UHFFFAOYSA-N

• Dihydromethysticin
IUPAC Name: (2S)-2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one | CAS Registry Number: 19902-91-1
Synonyms: 7,8-Dihydromethysticin, Dihydromethysticin (VAN), Ambap6223, Methysticin, 7,8-dihydro-, MEGxp0_001718, ACon0_000957, ACon1_001371, NSC 112159, CID88308, NCGC00180578-01, LS-127431, C09926, 2H-Pyran-2-one, 5,6-dihydro-4-methoxy-6-(3,4-(methylenedioxy)phenethyl)-, (S)-, 2H-Pyran-2-one, 6-(2-(1,3-benzodioxol-5-yl)ethyl)-5,6-dihydro-4-methoxy-, (S)-, DHM, 2H-Pyran-2-one, 6-(2-(1,3-benzodioxol-5-yl)ethyl)-5,6-dihydro-4-methoxy-, (S)- (9CI)

Molecular Formula: C15H16O5Molecular Weight: 276.284540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: RSIWXFIBHXYNFM-NSHDSACASA-N

• Ethanone, 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)-
IUPAC Name: 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone | CAS Registry Number: 204205-33-4
Synonyms: 2-bromo-2-(2-fluorophenyl)-1-cyclopropylethanone, 2-bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone, PubChem19832, ETH032, CTK1A1324, ANW-46083, FC1324, SBB070887, AKOS015854297, AG-E-49682, QC-8934, RP29149, AK-44978, EN000409, AB1004592, KB-168705, A4444, AM20090723, FT-0649302, I14-6513

Molecular Formula: C11H10BrFOMolecular Weight: 257.098903 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LMCZCCDXOZGIND-UHFFFAOYSA-N

• ethyl 2-bromo-5-chlorothiazole-4-carboxylate
IUPAC Name: ethyl 2-bromo-5-chloro-1,3-thiazole-4-carboxylate | CAS Registry Number: 425392-44-5
Synonyms: Ethyl 2-bromo-5-chlorothiazole-4-carboxylate, Ethyl 2-bromo-5-chloro-1,3-thiazole-4-carboxylate, F2158-0231, SureCN595444, CTK6F7502, ANW-53051, ZINC31772027, AKOS015958268, AG-C-10695, HT11646, QC-6415, RP06486, AK-77762, KB-85487, Y5430, C-1955, 2-Bromo-5-chloro-4-(ethoxycarbonyl)-1,3-thiazole, 2-Bromo-5-chloro-1,3-thiazol-4-carboxylic ethyl ester, 2-BROMO-5-CHLORO-THIAZOLE-4-CARBOXYLIC ACID ETHYL ESTER

Molecular Formula: C6H5BrClNO2SMolecular Weight: 270.531400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: GNUVSLOHOLUDJE-UHFFFAOYSA-N

• Ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate
IUPAC Name: ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate | CAS Registry Number: 64067-99-8
Synonyms: ethyl 6-chloroimidazo[1,2-b]pyridazine-2-carboxylate, AG-G-39967, AN-584/43307929, ZINC00161852, PubChem19273, AC1MCW5V, ACMC-209nk3, CTK5C0625, MolPort-000-144-942, ANW-34801, SBB054047, AKOS015843538, PB15726, RP27608, AK-77821, BR-77821, EN000725, KB-51457, AB1001105, BB 0259846

Molecular Formula: C9H8ClN3O2Molecular Weight: 225.631720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: AZEPEWATPYRPBM-UHFFFAOYSA-N

• Fine Chemicals
• Fludarabine
IUPAC Name: [(2R,3S,4S,5R)-5-(6-amino-2-fluoropurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate | CAS Registry Number: 75607-67-9
Synonyms: fludara, fludarabine phosphate, Fludura, Beneflur, FAMP, FaraAMP, fluoro-ara-AMP, Fludarabine monophosphate, 2-Fluoro-ARA AMP, Fludara (TN), 2-Fluoro-ara-AMP, F-ara-AMP, Ambap1079, Fludarabine 5'-monophosphate, 2-F-ara-AMP, C10H13FN5O7P, Fludarabine phosphate [USAN:BAN], NSC-312887, Fludarabine phosphate (JAN/USP), SHT-586

Molecular Formula: C10H13FN5O7PMolecular Weight: 365.211684 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 13

InChIKey: GIUYCYHIANZCFB-FJFJXFQQSA-N

• Fludarabine (base)
IUPAC Name: (2R,3S,4S,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol | CAS Registry Number: 21679-14-1
Synonyms: Fludarabine, fludara, FaraA, SQ Fludarabine, 2-Fluoro Ara-A, Fludarabinum [Latin], Fludarabina [Spanish], F-Ara-A, Fludarabine [INN], fludarabine phosphate, 2-F-ara-A, CCRIS 3382, HSDB 6964, MLS000028687, C10H12FN5O4, EINECS 244-525-5, NSC 118218H, NSC 118218, 9-beta-D-Arabinosyl-2-fluoroadenine, 2-Fluoro-9-beta-D-arabinofuranosyladenine

Molecular Formula: C10H12FN5O4Molecular Weight: 285.231783 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: HBUBKKRHXORPQB-FJFJXFQQSA-N

• Indole-4-boronic acid pinacol ester
IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole | CAS Registry Number: 388116-27-6
Synonyms: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, 1H-Indole-4-boronic acid, pinacol ester, SBB052589, 4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, 1H-INDOLE, 4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, PubChem19977, SureCN476853, AGN-PC-006ROA, CTK6B2372, HIN1409, ACT09656, ANW-41823, QC-501, RB2036, AKOS000283818, AG-B-99052, Indole-4-boronic acid, pinacol ester,, PB34318, RP05932, AK-77106

Molecular Formula: C14H18BNO2Molecular Weight: 243.109220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QDCIXBBEUHMLDN-UHFFFAOYSA-N

• indole-5-boronic Acid pinacol ester
IUPAC Name: 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole | CAS Registry Number: 269410-24-4
Synonyms: 578835_ALDRICH, 5-Indoleboronic acid pinacol ester, BM090, Indole-5-boronic acid pinacol ester, 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole

Molecular Formula: C14H18BNO2Molecular Weight: 243.109220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FATPQDPUKVVCLT-UHFFFAOYSA-N

• Indole-6-boronic acid pinacolate
IUPAC Name: 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole | CAS Registry Number: 642494-36-8
Synonyms: Indole-6-boronic acid pinacol ester, 6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, Indole-6-boronicacidpinacolester, Indole-6-boronic acid, pinacol ester, PubChem23558, SureCN13718, CTK8B3119, MolPort-002-041-536, ANW-41798, AKOS015950894, PB27777, AK-77116, KB-44243, AB1005668, A8818, AM20040947, 1H-INDOLE-6-BORONIC ACID PINACOL ESTER, 3-hydroxy-2,3-dimethylbutan-2-yl hydrogen 1H-indol-6-ylboronate, 1H-INDOLE, 6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-

Molecular Formula: C14H18BNO2Molecular Weight: 243.109220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VNDFXJNIKZCQRY-UHFFFAOYSA-N

• Indole-7-boronic acid pinacol ester
IUPAC Name: 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole | CAS Registry Number: 642494-37-9
Synonyms: 7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, AG-G-40988, 1H-Indole-7-boronic acid, pinacol ester, 7-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, 1H-INDOLE, 7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, PubChem12652, AGN-PC-005KWO, SureCN2028185, CTK5C0983, MolPort-000-141-348, ANW-41822, AKOS000283802, OR59787, PB22194, QC-4908, AK-77107, KB-52676, FT-0687417, C-1923, 1H-INDOL-7-YLBORONIC ACID PINACOL ESTER

Molecular Formula: C14H18BNO2Molecular Weight: 243.109220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QAXZRSICOHKXML-UHFFFAOYSA-N

• Isopropylboronic Acid
IUPAC Name: propan-2-ylboronic acid | CAS Registry Number: 80041-89-0
Synonyms: Isopropylboronic acid, propan-2-ylboronic acid, 648787_ALDRICH, TF5039, TL8005400

Molecular Formula: C3H9BO2Molecular Weight: 87.913360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: QIPHSSYCQCBJAX-UHFFFAOYSA-N

• Kavain
IUPAC Name: 4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one | CAS Registry Number: 3155-48-4
Synonyms: Kawain, kavain, Neuronica, Gonosan, Cavain, kavaine, DL-KAWAIN, D-Kawain, DL-Kavain, Kavain, dl-, Prestwick_556, Kawain, DL-, Kawain (+-)-form, Ambap3873, kavain, (R)-(E)-isomer, BSPBio_001184, MLS000069449, MLS001148390, 59780_FLUKA, EINECS 207-907-2

Molecular Formula: C14H14O3Molecular Weight: 230.259160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: XEAQIWGXBXCYFX-BQYQJAHWSA-N

• Levetiracetam
IUPAC Name: (2S)-2-(2-oxopyrrolidin-1-yl)butanamide | CAS Registry Number: 102767-28-2
Synonyms: Keppra, Etiracetam, Torleva, Keppra XR, etiracetam, S-isomer, Levetiracetam [INN], Etiracetam levo-isomer, ucb L060, SIB-S1, Levetiracetamum [INN-Latin], MLS000759403, MLS001424069, UCB-L059, C8H14N2O2, UCB-L 059, CID5284583, CPD000466303, SAM001246539, SMR000466303, (2S)-2-(2-oxopyrrolidin-1-yl)butanamide

Molecular Formula: C8H14N2O2Molecular Weight: 170.208960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HPHUVLMMVZITSG-LURJTMIESA-N

• Methysticin
IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one | CAS Registry Number: 20697-20-5
Synonyms: AGN-PC-015JLK, SureCN2357199, SureCN2357205, AC1L5I84, CTK4J1408, 2-[2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one, (2S)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one, 2H-Pyran-2-one,6-[(1E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5,6-dihydro-4-methoxy-, (6R)-

Molecular Formula: C15H14O5Molecular Weight: 274.268660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: GTEXBOVBADJOQH-UHFFFAOYSA-N

• N-[2-[(1S,4R)-6-[[4-(cyclobutylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1,2,3,4-tetrahydronaphthalen-1,4-imin-9-yl]-2-oxoethyl]Acetamide
Synonyms: PF-03814735, PF-3814735, PF03814735, PF 03814735, Kinome_1769, cc-272, DCL001076, KB-74441, BCP0726000114, 942490-07-5, Acetamide,N-[2-[6-[[4-(cyclobutylamino)-5-(trifluoromethyl)-2-pyrimidinyl]amino]-1,2,3,4-tetrahydronaphthalen-1,4-imin-9-yl]-2-oxoethyl]-, N-[2-(4-{[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-11-azatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-11-yl)-2-oxoethyl]acetamide

Molecular Formula: C23H25F3N6O2Molecular Weight: 474.478810 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: RYYNGWLOYLRZLK-UHFFFAOYSA-N

• NIGERICIN SODIUM
IUPAC Name: (2R)-2-[(2R,3S,6R)-6-[[(1R,3S,5R,6R,7R,9R)-3-[(2R,5S)-5-[(2R,3S,5R)-5-[(2S,3S,5R,6R)-6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-3-methyloxolan-2-yl]-5-methyloxolan-2-yl]-7-methoxy-1,3,6-trimethyl-4,10-dioxaspiro[4.5]decan-9-yl]methyl]-3-methyloxan-2-yl]propanoic acid | CAS Registry Number: 28380-24-7
Synonyms: nigericin, Polyetherin A, Azalomycin M, Helixin C, Epinigericin, Pandavir, Antibiotic K 178, Antibiotic X-464, Helix C, BSPBio_001599, CHEBI:7569, CHEBI:530451, AIDS003767, HMS1791P21, HMS1989P21, AIDS-003767, CID34230, BRN 1696755, C40H68O11, NSC292567 (SODIUM SALT)

Molecular Formula: C40H68O11Molecular Weight: 724.961320 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 11

InChIKey: DANUORFCFTYTSZ-SJSJOXFOSA-N

• Olaparib
IUPAC Name: 4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one | CAS Registry Number: 763113-22-0
Synonyms: AZD 2281, AZD-2281, AZD2281, KU-0059436, S1060_Selleck, Acylpiperazine analogue, 47, 1-(Cyclopropylcarbonyl)-4-[5-[(3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-2-fluorobenzoyl]piperazine, CHEMBL521686, AKOS005145764, 937799-91-2, AZD2281(olaparib), EN002690, KU-59436, KU0059436, FT-0083489, 4-(3-(4-(Cyclopropanecarbonyl)piperazine-1-carbonyl)-4-fluorobenzyl)phthalazin-1(2H)-one, Olaparib, KU-0059436, AZD2281, KU0059436, AZD2281, 4-[3-(4-Cyclopropanecarbonyl-piperazine-1-carbonyl)-4-fluoro-benzyl]-2H-phthalazin-1-one, 4-[(3-{[4-Cyclopropylcarbonyl)piperazin-4-yl]carbonyl}-4-fluorophenyl)methyl]phtalazin-1(2H)-one, OLAPARIB cpd

Molecular Formula: C24H23FN4O3Molecular Weight: 434.462823 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: FDLYAMZZIXQODN-UHFFFAOYSA-N

• Organic Fine Chemicals
• Phthalazine
IUPAC Name: phthalazine | CAS Registry Number: 253-52-1
Synonyms: PHTHALAZINE, 2,3-Benzodiazine, Benzo[d]pyridazine, beta-Phenodiazine, 2,3-Diazanaphthalene, Benzo(d)pyridazine, .beta.-Phenodiazine, CCRIS 6894, P38706_ALDRICH, CHEBI:36597, EINECS 205-963-2, NSC 62484, NSC62484, NSC63241, ZINC00404458, LS-188118, TL8002057, InChI=1/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6

Molecular Formula: C8H6N2Molecular Weight: 130.146640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LFSXCDWNBUNEEM-UHFFFAOYSA-N

• Pimecrolimus
Synonyms: Elidel, SDZ-ASM 981, 33-epi-Chloro-33-desoxyascomycin, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-((1E)-2-((1R,3R,4S)-4-chloro-3-methoxycyclohexyl)-1-methylethenyl)-8-ethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-, 15,19-Epoxy-3H-pyrido(2,1-c)(1,4)oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 3-(2-(4-chloro-3-methoxycyclohexyl)-1-methylethenyl)-8-ethyl-, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-14,16-dimethoxy-4,10,12,18-tetramethyl-, (3S-(3R*(E(1S*,3S*,4R*)),4S*,5R*,8S*,9E,12R*,14R*,15S*,16R*,18S*,19S*,26aR*))-

Molecular Formula: C43H68ClNO11Molecular Weight: 810.453120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 11

InChIKey: KASDHRXLYQOAKZ-OLHLVPFQSA-N

• Pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
IUPAC Name: pyrazolo[1,5-a]pyrimidine-3-carboxylic acid | CAS Registry Number: 25940-35-6
Synonyms: ALBB-005394, SBB006995, BAS 01516081

Molecular Formula: C7H5N3O2Molecular Weight: 163.133500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: HNYVPKNVKSTVJO-UHFFFAOYSA-N

• Pyrimidine-2-Carboxamidine
IUPAC Name: pyrimidine-2-carboximidamide | CAS Registry Number: 45695-56-5
Synonyms: 2-PYRIMIDINECARBOXIMIDAMIDE, pyrimidine-2-carboxamidine, Pyrimidine-2-carboximidamide, 2-Pyrimidinecarboximidamide (9CI), pyrimidinecarboximidamide, AC1Q4YYO, AGN-PC-0D4UNJ, SureCN1179705, PYR289, CTK1D5527, MolPort-004-758-930, ACN-S001707, ANW-55981, WTI-11653, AKOS008901121, AG-C-18608, AG-F-58263, GE-0236, HP23057, MCULE-8706617352

Molecular Formula: C5H6N4Molecular Weight: 122.127940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: SZSKAHAHBFDQKN-UHFFFAOYSA-N

• Quinhydrone
IUPAC Name: benzene-1,4-diol; cyclohexa-2,5-diene-1,4-dione | CAS Registry Number: 106-34-3
Synonyms: Green hydroquinone, p-Benzoquinhydrone, Chinhydron, .beta.-Quinhydrone, Chinhydron [Czech], 282960_ALDRICH, CHEBI:26491, EINECS 203-387-6, CID7801, WLN: L6V DVJ & QR DQ, Hydroquinone, compd. with p-benzoquinone, NSC 36325, p-Benzoquinone, compd. with hydroquinone, NSC36325, p-Benzoquinone-hydroquinone compound (1:1), Hydroquinone: benzoquinone 1:1 complex, p-Benzoquinone, compd. with hydroquinone (1:1), LS-141244, p-benzoquinone--hydroquinone compound (1:1), 2,5-Cyclohexadiene-1,4-dione, compd. with 1,4-benzenediol (1:1)

Molecular Formula: C12H10O4Molecular Weight: 218.205400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BDJXVNRFAQSMAA-UHFFFAOYSA-N

• Rapamycin
Synonyms: rapamycin, Sirolimus, Rapamune, 1fkb, 1pbk, LCP-Siro, (-)-Rapamycin, nchembio.79-comp1, nchembio762-comp1, nchembio883-comp3, nchembio.100-comp4, Sirolimus (RAPAMUNE), (-)-Rapamycin;Rapamune, Antibiotic AY 22989, BiomolKI2_000084, nchembio.2007.42-comp2, Sirolimus [USAN:BAN:INN], CCRIS 9024, R0395_SIAL, SILA 9268A

Molecular Formula: C51H79NO13Molecular Weight: 914.171860 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 13

InChIKey: QFJCIRLUMZQUOT-HPLJOQBZSA-N

• Tacrolimus Hydrate
Synonyms: tacrolimus, Protopic, Prograf, Tacrolimus hydrate, Protopic (TN), Prograf (TN), FK-506 monohydrate, Tacrolimus (USAN/INN), Tacrolimus hydrate (JAN), F4679_SIGMA, D00107

Molecular Formula: C44H71NO13Molecular Weight: 822.033440 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 13

InChIKey: NWJQLQGQZSIBAF-MLAUYUEBSA-N

• Tert-Butyl 2,8-Diazaspiro[4.5]decane-8-Carboxylate
IUPAC Name: tert-butyl 3,8-diazaspiro[4.5]decane-8-carboxylate | CAS Registry Number: 236406-39-6
Synonyms: MolPort-000-003-447, BBV-27028565, D67158, 2,8-Diaza-spiro[4.5]decane-8-carboxylic acid tert-butyl ester

Molecular Formula: C13H24N2O2Molecular Weight: 240.341860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MGHFVXFMQGQAKJ-UHFFFAOYSA-N

• tert-butyl 2-(2,3-difluoro-6-nitrophenyl)-3-oxobutanoate
IUPAC Name: tert-butyl 2-(2,3-difluoro-6-nitrophenyl)-3-oxobutanoate | CAS Registry Number: 1022112-25-9
Synonyms: SureCN2532560, CTK8C6825, SBB067729, AKOS015841087, KB-204657, FT-0651601, A800544, I14-5054, 2-(2,3-difluoro-6-nitrophenyl)-3-oxobutanoic acid tert-butyl ester, tert-butyl 2-[2,3-bis(fluoranyl)-6-nitro-phenyl]-3-oxidanylidene-butanoate

Molecular Formula: C14H15F2NO5Molecular Weight: 315.269406 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: FLAICFLHBGZSNN-UHFFFAOYSA-N

• trans-3-aminocyclohexan-1-ol
IUPAC Name: (1R,3S)-3-aminocyclohexan-1-ol | CAS Registry Number: 1110772-22-9
Synonyms: (1R,3S)-3-Aminocyclohexanol, cis-3-aminocyclohexanol, SureCN766627, rac-cis-3-Aminocyclohexanol, MolPort-019-878-518, 6982-42-9, AKOS006337442, AKOS015854162, AM90265, AK118728, Cyclohexanol, 3-amino-, (1R,3S)-rel-, KB-125288, KB-205356

Molecular Formula: C6H13NOMolecular Weight: 115.173520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NIQIPYGXPZUDDP-NTSWFWBYSA-N

• Triethyl 1,1,2-ethanetricarboxylate
IUPAC Name: triethyl ethane-1,1,2-tricarboxylate | CAS Registry Number: 7459-46-3
Synonyms: Triethyl ethane tricarboxylate, 1,1,2-Tricarbethoxyethane, T59854_ALDRICH, CID81961, NSC78463, EINECS 231-235-9, 1,1,2-Ethanetricarboxylic acid, triethyl ester, ZINC01718849, Triethyl ethane-1,1,2-tricarboxylate, Triethyl ethane-1,2,2-tricarboxylate, Ethane-1,1,2-tricarboxylic acid, triethyl ester, AI3-03323, ST5307939, InChI=1/C11H18O6/c1-4-15-9(12)7-8(10(13)16-5-2)11(14)17-6-3/h8H,4-7H2,1-3H

Molecular Formula: C11H18O6Molecular Weight: 246.257020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: TVWZLLYAJDSSCJ-UHFFFAOYSA-N

• (3-Methylisoxazol-5-Yl)methanol
IUPAC Name: (3-methyl-1,2-oxazol-5-yl)methanol | CAS Registry Number: 14716-89-3
Synonyms: (3-methylisoxazol-5-yl)methanol, (3-methyl-1,2-oxazol-5-yl)methanol, SBB025975, AG-D-92006, (3-methylisoxazol-5-yl)methan-1-ol, SureCN2093209, 5-Isoxazolemethanol,3-methyl-, CHEMBL334685, CTK4C5282, MolPort-000-142-787, 5-(Hydroxymethyl)-3-methylisoxazole, STK352902, ZINC12370187, AKOS005168451, (3-Methylisoxazol-5-yl)methan-1-ol;, MCULE-8471512236, QC-4563, RP00580, AK105202, KB-62783

Molecular Formula: C5H7NO2Molecular Weight: 113.114580 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OFSDWHRZVRCPBR-UHFFFAOYSA-N

• 1,4-phenyldiboronic acid, bis(pinacol) ester
IUPAC Name: 4,4,5,5-tetramethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane | CAS Registry Number: 99770-93-1
Synonyms: 1,4-Benzenediboronic acid bis(pinacol) ester, 1,4-Bis(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene, SureCN228212, AMTB185, 663816_ALDRICH, MolPort-002-055-037, MAY00077, AKOS015960165, 1,4-Benzenediboronic acid dipinacol ester, 1,4-Phenylenediboronic acid pinacol ester, KB-10634, 1,4-Phenylenediboronic acid, pinacol ester,, Benzene-1,4-diboronic acid, pinacol diester, 10.14272/UOJCDDLTVQJPGH-UHFFFAOYSA-N, B-1310, doi:10.14272/UOJCDDLTVQJPGH-UHFFFAOYSA-N, 1,4-PHENYLDIBORONIC ACID, BIS(PINACOL) ESTER, 4,4,5,5-tetramethyl-2-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane

Molecular Formula: C18H28B2O4Molecular Weight: 330.034520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UOJCDDLTVQJPGH-UHFFFAOYSA-N

• 2,3,5-Tri-O-benzyl-beta-D-arabinofuranose
IUPAC Name: 3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol | CAS Registry Number: 60933-68-8
Synonyms: T8255_SIGMA, NSC81026, NSC232028, 2,3,5-Tri-O-benzyl-D-arabinofuranose

Molecular Formula: C26H28O5Molecular Weight: 420.497520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: NAQUAXSCBJPECG-UHFFFAOYSA-N

• 2,7-Diazaspiro[4.5]decane-7-carboxylic acid t-butyl ester
IUPAC Name: tert-butyl 2,7-diazaspiro[4.5]decane-7-carboxylate | CAS Registry Number: 236406-61-4
Synonyms: tert-butyl 2,7-diazaspiro[4.5]decane-7-carboxylate, 7-Boc-2,7-Diazaspiro[4.5]decane, 2,7-DIAZASPIRO[4.5]DECANE-7-CARBOXYLIC ACID TERT-BUTYL ESTER, AG-E-69261, 2,7-Diaza-spiro[4.5]decane-7-carboxylic acid tert-butyl ester, 2,7-Diazaspiro[4.5]decane-7-carboxylicacid, 1,1-dimethylethyl ester, SureCN484405, Ambcb4029701, CTK4F1964, MolPort-008-266-394, ANW-74702, 7-Boc-2,7-diazaspiro[4.5]decane;, AKOS005146289, PB15906, QC-9823, RP07711, AK-34273, BP-11798, KB-18484, AM20090258

Molecular Formula: C13H24N2O2Molecular Weight: 240.341860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ISIJQEHRDSCQIU-UHFFFAOYSA-N

• 3-[(1R)-1-(2,6-Dichloro-3-Fluorophenyl)ethoxy]-5-[1-(4-Piperidinyl)-1H-Pyrazol-4-Yl]-2-Pyridinamine
IUPAC Name: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine | CAS Registry Number: 877399-52-5
Synonyms: Crizotinib, PF-2341066, Xalkori, PF-02341066, PF 2341066, CHEBI:64310, 3-[(1R)-1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-2-pyridinamine, (R)-3-[1-(2,6-Dichloro-3-fluoro-phenyl)-ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-pyridin-2-ylamine, 3-[(1r)-1-(2,6-Dichloro-3-Fluorophenyl)ethoxy]-5-(1-Piperidin-4-Yl-1h-Pyrazol-4-Yl)pyridin-2-Amine, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine, SB431542, SB 431542|, UNII-53AH36668S, (R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine, 3-((1r)-1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1-(4-piperidinyl)-1h-pyrazol-4-yl)pyridin-2-amine, 3-[(1R)-1-(2,6-DICHLORO-3-FLUOROPHENYL)ETHOXY]-5-[1-(4-PIPERIDINYL)-1H-PYRAZOL-4-YL]PYRIDIN-2-AMINE, VGH, Xalkori (TN), S1068_Selleck, PubChem19322, SureCN93829

Molecular Formula: C21H22Cl2FN5OMolecular Weight: 450.336683 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: KTEIFNKAUNYNJU-GFCCVEGCSA-N

• 2-(trifluoromethyl)Thiophene
IUPAC Name: 2-(trifluoromethyl)thiophene | CAS Registry Number: 86093-76-7
Synonyms: 2-(Trifluoromethyl)thiophene, 2-Trifluoromethylthiophene, SBB055749, AG-H-47320, ZINC02541355, SureCN156754, AC1MC3H2, Thiophene,2-(trifluoromethyl)-, CTK5F6250, MolPort-000-159-173, RW1155, AKOS005257981, QC-2750, AK-36592, KB-26265, FT-0081102, FT-0651035, A21046, 2-(Perfluoromethyl)thiophene;2-(Trifluoromethyl)thiophene;2-(Trifluoromethyl)thiophene 95%;

Molecular Formula: C5H3F3SMolecular Weight: 152.137530 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: FKGYFHXXFBKLNH-UHFFFAOYSA-N

• 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE
IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole | CAS Registry Number: 937366-54-6
Synonyms: 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole, Indole-3-boronic acid pinacol ester, SureCN2111365, CTK5H2887, MolPort-008-541-517, ANW-71653, AKOS015950042, AG-H-82928, MB08127, QC-9759, AK-77125, KB-233022, 3-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-INDOLE

Molecular Formula: C14H18BNO2Molecular Weight: 243.109220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WQPRSRMWYVTUTE-UHFFFAOYSA-N

• 2,4-Morpholinedicarboxylic acid 4-tert-butyl 2-ethyl ester
IUPAC Name: 4-O-tert-butyl 2-O-ethyl morpholine-2,4-dicarboxylate | CAS Registry Number: 768371-16-0
Synonyms: Ethyl 4-Boc-2-morpholinecarboxylate, ACMC-209p6b, SureCN3498202, CTK5E3495, MolPort-019-918-641, ANW-36897, AKOS015836959, AG-L-24369, AK-40073, BR-40073, KB-253283, FT-0687415, W8354, 4-tert-butyl 2-ethyl morpholine-2,4-dicarboxylate, I14-20220

Molecular Formula: C12H21NO5Molecular Weight: 259.298840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: WOCMUJFSDGAHNY-UHFFFAOYSA-N

• 2-AMINO-2-ISOPROPYL-HEXANOIC ACID METHYL ESTER
IUPAC Name: methyl 2-amino-2-propan-2-ylhexanoate | CAS Registry Number: 1021274-00-9
Synonyms: methyl 2-amino-2-isopropylhexanoate, CTK6D5559, SBB070300, AKOS006285379, AG-B-26801, KB-53778, methyl 2-azanyl-2-propan-2-yl-hexanoate, FT-0651663, 2-amino-2-propan-2-ylhexanoic acid methyl ester, A800522, I14-5099

Molecular Formula: C10H21NO2Molecular Weight: 187.279240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YGDRVELYLXJUCP-UHFFFAOYSA-N

• 2-(2-Bromophenyl)pyridine
IUPAC Name: 2-(2-bromophenyl)pyridine | CAS Registry Number: 109306-86-7
Synonyms: Pyridine, 2-(2-bromophenyl)-, ACMC-20ahbh, SureCN750980, AGN-PC-00LK2V, Pyridine, 2-(bromophenyl)-, CTK0G2465, ANW-73371, AKOS016008666, AK-77122, KB-220832

Molecular Formula: C11H8BrNMolecular Weight: 234.091920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NNGXNALKPNFUQS-UHFFFAOYSA-N

• (2-(Pyridin-2-yl)phenyl)boronic acid
IUPAC Name: (2-pyridin-2-ylphenyl)boronic acid | CAS Registry Number: 1243264-50-7
Synonyms: SCHEMBL5024844, AKOS017344798, AK-77127

Molecular Formula: C11H10BNO2Molecular Weight: 199.013600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IVFOENMIVYCLDS-UHFFFAOYSA-N

• 5,6-Dehydrokawain
IUPAC Name: 4-methoxy-6-[(E)-2-phenylethenyl]pyran-2-one | CAS Registry Number: 15345-89-8
Synonyms: Desmethoxyyangonin, Demethoxyyangonin, 4-Methoxy-6-styryl-2H-pyran-2-one, AIDS224739, NSC 112161, AIDS-224739, CID5273621, NCGC00091904-01, 2H-Pyran-2-one, 4-methoxy-6-styryl-, (E)-, LS-127466, C09925, (E)-4-Methoxy-6-(2-phenylethenyl)-2H-pyran-2-one, 2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-, 4-methoxy-6-[(E)-2-phenylvinyl]-2H-pyran-2-one, 2H-Pyran-2-one, 4-methoxy-6-[(E)-2-phenylethenyl]-, 2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-, (E)-, 2H-Pyran-2-one, 4-methoxy-6-(2-phenylethenyl)-, (E)- (9CI), 1952-41-6, DMY, 26531-51-1

Molecular Formula: C14H12O3Molecular Weight: 228.243280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: DKKJNZYHGRUXBS-BQYQJAHWSA-N


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