罗非昔布
TL;DR: 罗非昔布 (CAS 162011-90-7) is a chemical compound with molecular formula C17H14O4S and molecular weight 314.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
罗非昔布
3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
Also Known As: rofecoxib, Vioxx, Ceoxx, refecoxib, Vioxx Dolor
| Molecular Formula | C17H14O4S |
|---|---|
| Molecular Weight | 314.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.06128 |
| Heavy Atoms | 22 |
| Complexity | 556.0 |
| Solubility | Insoluble |
| Vapor Pressure | 3.2X10-9 mm Hg at 25 °C /Estimated/ |
Chemical Identifiers
| CAS Number | 162011-90-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 |
| InChIKey | RZJQGNCSTQAWON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
罗非昔布 (CAS 162011-90-7), with molecular formula C17H14O4S and molecular weight 314.06 g/mol. IUPAC: 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one.
Chemical Property Profile of 罗非昔布
Property Insights of 罗非昔布
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 罗非昔布. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 罗非昔布. Following Lipinski's Rule of Five, 罗非昔布 has 0 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 罗非昔布?
The CAS number of 罗非昔布 is 162011-90-7.
What is the molecular formula of 罗非昔布?
The molecular formula of 罗非昔布 is C17H14O4S.
What is the molecular weight of 罗非昔布?
The molecular weight of 罗非昔布 is 314.06 g/mol.
Where can I buy 罗非昔布?
You can request a quote for 罗非昔布 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 罗非昔布?
Yes, KEHONG BIO provides custom synthesis services for 罗非昔布 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.