5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine
TL;DR: 5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine (CAS 202409-31-2) is a chemical compound with molecular formula C17H13ClN2O2S and molecular weight 344.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine
Also Known As: Desmethyl etoricoxib, Etoricoxib Impurity 9, Etoricoxib Impurity I, Etoricoxib Impurity 11, Etoricoxib Impurity 18
| Molecular Formula | C17H13ClN2O2S |
|---|---|
| Molecular Weight | 344.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.03864 |
| Heavy Atoms | 23 |
| Complexity | 485.0 |
Chemical Identifiers
| CAS Number | 202409-31-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)C2=C(N=CC(=C2)Cl)C3=CN=CC=C3 |
| InChIKey | CUVUXNULRBGYON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine (CAS 202409-31-2), with molecular formula C17H13ClN2O2S and molecular weight 344.04 g/mol. IUPAC: 5-chloro-3-(4-methylsulfonylphenyl)-2-pyridin-3-ylpyridine.
Chemical Property Profile of 5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine
Property Insights of 5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine. Following Lipinski's Rule of Five, 5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine 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 5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine?
The CAS number of 5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine is 202409-31-2.
What is the molecular formula of 5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine?
The molecular formula of 5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine is C17H13ClN2O2S.
What is the molecular weight of 5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine?
The molecular weight of 5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine is 344.04 g/mol.
Where can I buy 5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine?
You can request a quote for 5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-3-(4-(methylsulfonyl)phenyl)-2,3'-bipyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.