4'-Hydroxycelecoxib
TL;DR: 4'-Hydroxycelecoxib (CAS 170571-00-3) is a chemical compound with molecular formula C17H14F3N3O3S and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
Also Known As: Hydroxy Celecoxib, 4'-Hydroxycelecoxib, hydroxycelecoxib, Celecoxib metabolite M3, HYDROXYMETHYL CELECOXIB
| Molecular Formula | C17H14F3N3O3S |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 2.6978 |
| Topological Polar Surface Area | 98.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.0708 |
| Heavy Atoms | 27 |
| Complexity | 1057.5433 |
Chemical Identifiers
| CAS Number | 170571-00-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CO)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F |
Product Overview
4'-Hydroxycelecoxib (CAS 170571-00-3), with molecular formula C17H14F3N3O3S and molecular weight 397.07 g/mol. IUPAC: 4-[5-[4-(hydroxymethyl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide.
Chemical Property Profile of 4'-Hydroxycelecoxib
Property Insights of 4'-Hydroxycelecoxib
The XLogP value of 2.6978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Hydroxycelecoxib. The TPSA of 98.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Hydroxycelecoxib. Following Lipinski's Rule of Five, 4'-Hydroxycelecoxib has 2 hydrogen bond donor(s) and 4 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 4'-Hydroxycelecoxib?
The CAS number of 4'-Hydroxycelecoxib is 170571-00-3.
What is the molecular formula of 4'-Hydroxycelecoxib?
The molecular formula of 4'-Hydroxycelecoxib is C17H14F3N3O3S.
What is the molecular weight of 4'-Hydroxycelecoxib?
The molecular weight of 4'-Hydroxycelecoxib is 397.07 g/mol.
Where can I buy 4'-Hydroxycelecoxib?
You can request a quote for 4'-Hydroxycelecoxib directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Hydroxycelecoxib?
Yes, KEHONG BIO provides custom synthesis services for 4'-Hydroxycelecoxib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.