Celecoxib (CAS 169590-42-5) — formula C17H14F3N3O2S, molecular weight 381.4; category pharmaceutical intermediates and APIs.
Celecoxib (CAS 169590-42-5) is a chemical raw material in the pharmaceutical intermediates and APIs category. Its molecular formula C17H14F3N3O2S comprises 17 C, 14 H, 3 F, 3 N, 2 O, 1 S atoms. Its molecular weight is about 381.4. Reported physicochemical data: melting point around 157-159, boiling point around 529.0±60.0, LogP about 3.53. 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 | 169590-42-5 |
|---|---|
| Molecular Formula | C17H14F3N3O2S |
| Molecular Weight | 381.4 |
| Melting Point | 157-159 |
| Boiling Point | 529.0±60.0 |
| LogP | 3.53 |
| Applications | Cyclooxygenase 2 Inhibitors, MEDICATION, Use (kg, approx.) in Germany (2009): >5000, exact) in Germany (2009): 5262, Use (kg) in USA (2002): 157000 |
| Category | Pharmaceutical Intermediates & APIs |
Documented applications: Cyclooxygenase 2 Inhibitors, MEDICATION, Use (kg, approx.) in Germany (2009): >5000, exact) in Germany (2009): 5262, Use (kg) in USA (2002): 157000.
Celecoxib is a pharmaceutical intermediate or API compound with CAS registry number 169590-42-5 and molecular formula C17H14F3N3O2S (molecular weight 381.4), belonging to the pharmaceutical intermediates and APIs segment of chemical raw materials.
CAS number: 169590-42-5
Its molecular formula C17H14F3N3O2S comprises 17 C, 14 H, 3 F, 3 N, 2 O, 1 S atoms.
Also known as: Celecoxib · 塞来昔布
Category: pharmaceutical intermediates and APIs
The CAS registry number of Celecoxib is 169590-42-5.
Molecular formula C17H14F3N3O2S, molecular weight 381.4.
It is also registered under: Celecoxib, 塞来昔布.
Recorded applications: Cyclooxygenase 2 Inhibitors, MEDICATION, Use (kg, approx.) in Germany (2009): >5000, exact) in Germany (2009): 5262, Use (kg) in USA (2002): 157000.
Category: Pharmaceutical Intermediates & APIs.
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 Celecoxib (CAS 169590-42-5), compiled from public chemistry databases.
| CAS Registry Number | 169590-42-5 |
|---|---|
| PubChem CID | 2662 |
| Molecular formula | C17H14F3N3O2S |
| IUPAC name | 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide |
| UNII (FDA) | JCX84Q7J1L |
| Molecular Weight | 381.4 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 381.07588236 |
| Monoisotopic Mass | 381.07588236 |
| Topological Polar Surface Area | 86.4 |
| Heavy Atom Count | 26 |
| Boiling Point | 529.0±60.0 |
|---|---|
| Melting Point | 157-159 |
| Melting Point | 157-159 °C |
| Melting Point | 101.7 - 103.9 °C |
| LogP | 3.53 |
| LogP | 3.42 |
| Dissociation Constants | 11.1 |
celecoxib; 169590-42-5; Celebrex; Celebra; Onsenal; 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE; 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide; SC-58635; 184007-95-2; YM 177; p-(5-p-Tolyl-3-(trifluoromethyl)pyrazol-1-yl)benzenesulfonamide; Celecoxibum; DTXSID0022777; SC58635; DFN15; JCX84Q7J1L
| Reported hazard statements | H317 (11.9%), H319 (12.6%), H360 (82.4%), H401, H411 |
|---|
H317 (11.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]
H319 (12.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Celecoxib · CAS 169590-42-5 · C17H14F3N3O2S. UNII JCX84Q7J1L. Boiling Point: 529.0±60.0; Melting Point: 157-159; Melting Point: 157-159 °C.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 塞来昔布