Etoricoxib
TL;DR: Etoricoxib (CAS 1131345-14-6) is a chemical compound with molecular formula C18H15ClN2O2S and molecular weight 358.0543 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-2-(6-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)pyridine
Also Known As: Etoricoxib, Arcoxia, Tauxib, Nucoxia, Algix
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C18H15ClN2O2S |
| Molecular Weight | 358.0543 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.0543 Da |
| Heavy Atoms | 24 |
| Complexity | 514.0 |
| Solubility | 3.28e-03 g/L |
| SMILES | CC1=NC=C(C=C1)C2=C(C=C(C=N2)Cl)C3=CC=C(C=C3)S(=O)(=O)C |
| InChIKey | MNJVRJDLRVPLFE-UHFFFAOYSA-N |
Chemical Property Profile of Etoricoxib
Property Insights of Etoricoxib
The XLogP value of 3.3 indicates that Etoricoxib is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Etoricoxib. Following Lipinski's Rule of Five, Etoricoxib 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 Etoricoxib?
The CAS number of Etoricoxib is 1131345-14-6.
What is the molecular formula of Etoricoxib?
The molecular formula of Etoricoxib is C18H15ClN2O2S.
What is the molecular weight of Etoricoxib?
The molecular weight of Etoricoxib is 358.0543 g/mol.
Where can I buy Etoricoxib?
You can request a quote for Etoricoxib directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Etoricoxib?
Yes, CoreyChem provides custom synthesis services for Etoricoxib and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.