Firocoxib
TL;DR: Firocoxib (CAS 189955-38-2) is a chemical compound with molecular formula C17H20O5S and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
Also Known As: Firocoxib, Equioxx, Previcox, Librens, Equixx
| Molecular Formula | C17H20O5S |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.10315 |
| Heavy Atoms | 23 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 189955-38-2 |
|---|---|
| SMILES | CC1(C(=C(C(=O)O1)OCC2CC2)C3=CC=C(C=C3)S(=O)(=O)C)C |
| InChIKey | FULAPETWGIGNMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Firocoxib (CAS 189955-38-2), with molecular formula C17H20O5S and molecular weight 336.10 g/mol. IUPAC: 3-(cyclopropylmethoxy)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one.
Chemical Property Profile of Firocoxib
Property Insights of Firocoxib
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Firocoxib. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Firocoxib. Following Lipinski's Rule of Five, Firocoxib has 0 hydrogen bond donor(s) and 5 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 Firocoxib?
The CAS number of Firocoxib is 189955-38-2.
What is the molecular formula of Firocoxib?
The molecular formula of Firocoxib is C17H20O5S.
What is the molecular weight of Firocoxib?
The molecular weight of Firocoxib is 336.10 g/mol.
Where can I buy Firocoxib?
You can request a quote for Firocoxib directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Firocoxib?
Yes, KEHONG BIO provides custom synthesis services for Firocoxib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.