塞来昔布
TL;DR: 塞来昔布 (CAS 169590-42-5) is a chemical compound with molecular formula C17H14F3N3O2S and molecular weight 381.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
塞来昔布
4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Also Known As: celecoxib, Celebrex, Celebra, Onsenal, Celocoxib
| Molecular Formula | C17H14F3N3O2S |
|---|---|
| Molecular Weight | 381.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.0759 |
| Heavy Atoms | 26 |
| Complexity | 577.0 |
| Melting Point | 157-159 |
| Boiling Point | 529.0±60.0 |
| Solubility | Poorly soluble |
Chemical Identifiers
| CAS Number | 169590-42-5 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
塞来昔布 (CAS 169590-42-5), with molecular formula C17H14F3N3O2S and molecular weight 381.08 g/mol. IUPAC: 4-[5-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
Chemical Property Profile of 塞来昔布
Property Insights of 塞来昔布
The XLogP value of 3.4 indicates that 塞来昔布 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 塞来昔布. Following Lipinski's Rule of Five, 塞来昔布 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
Frequently Asked Questions
What is the CAS number of 塞来昔布?
The CAS number of 塞来昔布 is 169590-42-5.
What is the molecular formula of 塞来昔布?
The molecular formula of 塞来昔布 is C17H14F3N3O2S.
What is the molecular weight of 塞来昔布?
The molecular weight of 塞来昔布 is 381.08 g/mol.
Where can I buy 塞来昔布?
You can request a quote for 塞来昔布 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 塞来昔布?
Yes, KEHONG BIO provides custom synthesis services for 塞来昔布 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.