Celecoxib
TL;DR: Celecoxib (CAS 169590-42-5) is a chemical compound with molecular formula C17H14F3N3O2S and molecular weight 381.0759 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Also Known As: celecoxib, Celebrex, Celebra, Onsenal, Celocoxib
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H14F3N3O2S |
| Molecular Weight | 381.0759 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 86.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.0759 Da |
| Heavy Atoms | 26 |
| Complexity | 577.0 |
| Melting Point | 157-159 |
| Boiling Point | 529.0±60.0 |
| Solubility | Poorly soluble |
| SMILES | CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F |
| InChIKey | RZEKVGVHFLEQIL-UHFFFAOYSA-N |
Chemical Property Profile of Celecoxib
Property Insights of Celecoxib
The XLogP value of 3.4 indicates that Celecoxib is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Celecoxib. Following Lipinski's Rule of Five, Celecoxib has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Celecoxib?
The CAS number of Celecoxib is 169590-42-5.
What is the molecular formula of Celecoxib?
The molecular formula of Celecoxib is C17H14F3N3O2S.
What is the molecular weight of Celecoxib?
The molecular weight of Celecoxib is 381.0759 g/mol.
Where can I buy Celecoxib?
You can request a quote for Celecoxib directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Celecoxib?
Yes, CoreyChem provides custom synthesis services for Celecoxib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.