Rofecoxib
TL;DR: Rofecoxib (CAS 162011-90-7) is a chemical compound with molecular formula C17H14O4S and molecular weight 314.06128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one
Also Known As: rofecoxib, Vioxx, Ceoxx, refecoxib, Vioxx Dolor
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H14O4S |
| Molecular Weight | 314.06128 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.06128 Da |
| Heavy Atoms | 22 |
| Complexity | 556.0 |
| Vapor Pressure | 3.2X10-9 mm Hg at 25 °C /Estimated/ |
| Solubility | Insoluble |
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)OC2)C3=CC=CC=C3 |
| InChIKey | RZJQGNCSTQAWON-UHFFFAOYSA-N |
Product Description
Applications: Rofecoxib is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Rofecoxib (CAS 162011-90-7) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Rofecoxib is a pharmaceutical intermediate identified by CAS number 162011-90-7 and the molecular formula C17H14O4S and a molecular weight of 314.06 g/mol. Physically, the compound has a solubility: Insoluble. It is also known as rofecoxib and Vioxx.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Rofecoxib
Property Insights of Rofecoxib
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Rofecoxib. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Rofecoxib. Following Lipinski's Rule of Five, Rofecoxib 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
What is the CAS number of Rofecoxib?
The CAS number of Rofecoxib is 162011-90-7.
What is the molecular formula of Rofecoxib?
The molecular formula of Rofecoxib is C17H14O4S.
What is the molecular weight of Rofecoxib?
The molecular weight of Rofecoxib is 314.06128 g/mol.
What are the applications of Rofecoxib?
Rofecoxib is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Rofecoxib (CAS 162011-90-7) with custom...
Where can I buy Rofecoxib?
You can request a quote for Rofecoxib directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Rofecoxib?
Yes, CoreyChem provides custom synthesis services for Rofecoxib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.