伐地考昔
TL;DR: 伐地考昔 (CAS 181695-72-7) is a chemical compound with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
伐地考昔
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
Also Known As: Valdecoxib, Bextra, Valdyn, Kudeq, valdecoxibum
| Molecular Formula | C16H14N2O3S |
|---|---|
| Molecular Weight | 314.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 94.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0725 |
| Heavy Atoms | 22 |
| Complexity | 462.0 |
| Melting Point | 160 - 162 °C |
| Solubility | Soluble in methanol and ethanol; freely soluble in organic solvents and alkaline (pH=12) aqueous solution |
| Vapor Pressure | 4.6X10-10 mm Hg at 25 °C /Estimated/ |
Chemical Identifiers
| CAS Number | 181695-72-7 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N |
| InChIKey | LNPDTQAFDNKSHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
伐地考昔 (CAS 181695-72-7), with molecular formula C16H14N2O3S and molecular weight 314.07 g/mol. IUPAC: 4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide.
Chemical Property Profile of 伐地考昔
Property Insights of 伐地考昔
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 伐地考昔. The TPSA of 94.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 伐地考昔. Following Lipinski's Rule of Five, 伐地考昔 has 1 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 伐地考昔?
The CAS number of 伐地考昔 is 181695-72-7.
What is the molecular formula of 伐地考昔?
The molecular formula of 伐地考昔 is C16H14N2O3S.
What is the molecular weight of 伐地考昔?
The molecular weight of 伐地考昔 is 314.07 g/mol.
Where can I buy 伐地考昔?
You can request a quote for 伐地考昔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 伐地考昔?
Yes, KEHONG BIO provides custom synthesis services for 伐地考昔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.