Tofacitinib (CAS 477600-75-2) — formula C16H20N6O, molecular weight 312.37; category organic chemicals.
Tofacitinib (CAS 477600-75-2) is a chemical raw material in the organic chemicals category. Its molecular formula C16H20N6O comprises 16 C, 20 H, 6 N, 1 O atoms. Its molecular weight is about 312.37. Reported physicochemical data: LogP about 1.808. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.
| CAS Number | 477600-75-2 |
|---|---|
| Molecular Formula | C16H20N6O |
| Molecular Weight | 312.37 |
| LogP | 1.808 |
| Applications | MEDICATION, Protein Kinase Inhibitors, Methods of Manufacturing: Preparation (unspecified stereo): T. A. Blumenkopf et al, World Intellectual Property Organization patent 0142246, eidem, United States of America patent 7265221 (2001 |
| Category | Organic Chemicals |
Documented applications: MEDICATION, Protein Kinase Inhibitors, Methods of Manufacturing: Preparation (unspecified stereo): T. A. Blumenkopf et al, World Intellectual Property Organization patent 0142246, eidem, United States of America patent 7265221 (2001.
Tofacitinib is a carbon-based organic compound with CAS registry number 477600-75-2 and molecular formula C16H20N6O (molecular weight 312.37), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 477600-75-2
Its molecular formula C16H20N6O comprises 16 C, 20 H, 6 N, 1 O atoms.
Also known as: Tofacitinib · 托法替尼
Category: organic chemicals
The CAS registry number of Tofacitinib is 477600-75-2.
Molecular formula C16H20N6O, molecular weight 312.37.
It is also registered under: Tofacitinib, 托法替尼.
Recorded applications: MEDICATION, Protein Kinase Inhibitors, Methods of Manufacturing: Preparation (unspecified stereo): T. A. Blumenkopf et al, World Intellectual Property Organization patent 0142246, eidem, United States of America patent 7265221 (2001.
Category: Organic Chemicals.
Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.
Independent reference data for Tofacitinib (CAS 477600-75-2), compiled from public chemistry databases.
| CAS Registry Number | 477600-75-2 |
|---|---|
| PubChem CID | 9926791 |
| Molecular formula | C16H20N6O |
| IUPAC name | 3-[(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile |
| UNII (FDA) | 87LA6FU830 |
| Molecular Weight | 312.37 |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 312.16985928 |
| Monoisotopic Mass | 312.16985928 |
| Topological Polar Surface Area | 88.9 |
| Heavy Atom Count | 23 |
| LogP | 1.808 |
|---|
Tofacitinib; 477600-75-2; Tasocitinib; 3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)-3-oxopropanenitrile; CP-690550; CP 690550; Cp-690 free base; tofacitinibum; 3-{(3R,4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl}-3-oxopropanenitrile; CP690550; 87LA6FU830; CP-690550 FREE BASE; CP-690,550 FREE BASE; CP690,550; CP-690-550; CHEBI:71200
| Reported hazard statements | H301 (25%), H302 (25%), H311 (25%), H315 (25%), H319 (25%), H331 (25%), H335 (25%), H351 (25%) |
|---|
H301 (25%): Toxic if swallowed [Danger Acute toxicity, oral]
H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
Tofacitinib · CAS 477600-75-2 · C16H20N6O. UNII 87LA6FU830. LogP: 1.808.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 托法替尼