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540737-29-9

Basic Information
CAS No.: 540737-29-9
Name: 1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, (3R,4R)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1)
Molecular Structure:
Molecular Structure of 540737-29-9 (1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, (3R,4R)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1))
Formula: C16H20N6O·C6H8O7
Molecular Weight: 504.50
Synonyms: 3-Piperidinamine, 1-(cyanoacetyl)-4-methyl-N-methyl-N-1H-pyrrolo[2,3-d]pyrimidin-4-yl-, (3R,4R)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1);CP 690500-10;Tofacitinib citrate;
EINECS: 638-826-4
Density:
Melting Point: 201 °C (decomp)
Boiling Point: 585.8 °C at 760 mmHg
Flash Point: 308.1 °C
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 221.04000
LogP: 0.23418
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    Tofacitinib citrate Basic information Description In vitro In vivo References Product Name: Tofacitinib citrate Synonyms: 1-PIPERIDINEPROPANENITRILE, 4-METHYL-3-(METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-4-YLAMINO)-BETA-OXO-, (3R,4R)-, 2-HYDROXY-1,2,3-

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    Product Name: Tofacitinib citrate Synonyms: 3-((3R,4R)-4-Methyl-3-(Methyl(7H-pyrrolo[2,3-d]pyriMidin-4-yl)aMino)piperidin-1-yl)-3-oxopropanenitrile citrate;CP-690550 citrate;Tofacitinib (CP-690550) Citrate;Tofacitinib Citratet;3-{4-Methyl-3-[Methy

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  • Manufacturer supply CAS 540737-29-9 with best quality

  • Casno:

    540737-29-9

    Manufacturer supply CAS 540737-29-9 with best quality

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 139.0-210.0/Kilogram

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    Zhuo Zhou Wen Xi Import and Export Co., Ltd. is a company mainly engaged in the export of pharmaceutical raw materials. Its parent company is (Wen Xi Pharma), including three subs

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  • Tofacitinib citrate CP-690550 high purity

  • Casno:

    540737-29-9

    MSDS/COA Download

    Tofacitinib citrate CP-690550 high purity

    Min.Order: 10 Gram

    FOB Price:  USD $ 10.0-1000.0/Gram

    Tofacitinib citrate CP-690550 high purity 1) Quick Response Within 12 hours; 2) Quality Guarantee: All products are strictly tested by our QC, confirmed by QA and approved by third party lab in China, USA, Canada, Germany, UK, Italy, France e

    HUBEI AOKS BIO-TECH CO.,LTD is located in Hubei province of China.We specialized in Active pharmaceutical ingredient,pharmaceutical intermediates,veterinary drug intermediates and

  •  HUBEI AOKS BIO-TECH CO.,LTD

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    Address:28F,China Construction Third Bureau,Wuhan,Hubei Province, China

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Specification

The Tofacitinib citrate, with the CAS registry number 540737-29-9, is also known as 3-Piperidinamine, 1-(cyanoacetyl)-4-methyl-N-methyl-N-1H-pyrrolo[2,3-d]pyrimidin-4-yl-, (3R,4R)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1). This chemical's molecular formula is C16H20N6O·C6H8O7 and molecular weight is 504.50. What's more, its systematic name is 3-{(3R,4R)-4-Methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1-piperidinyl}-3-oxopropanenitrile 2-hydroxy-1,2,3-propanetricarboxylate (1:1).

Physical properties of Tofacitinib citrate are: (1)ACD/LogP: 0.275; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 7; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 78.05 Å2; (7)Flash Point: 308.1 °C; (8)Enthalpy of Vaporization: 87.51 kJ/mol; (9)Boiling Point: 585.8 °C at 760 mmHg; (10)Vapour Pressure: 1.04E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(O)(CC(=O)O)CC(=O)O.N#CCC(=O)N3CC[C@@H](C)[C@@H](N(c1ncnc2c1ccn2)C)C3
(2)Std. InChI: InChI=1S/C16H20N6O.C6H8O7/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t11-,13+;/m1./s1
(3)Std. InChIKey: SYIKUFDOYJFGBQ-YLAFAASESA-N

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