6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid
TL;DR: 6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid (CAS 400079-64-3) is a chemical compound with molecular formula C17H12ClNO2S and molecular weight 329.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-methylsulfanyl-2-phenylquinoline-4-carboxylic acid
Also Known As: 6-chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid, 6-chloro-3-(methylsulfanyl)-2-phenylquinoline-4-carboxylic acid, 6-chloro-3-methylsulfanyl-2-phenylquinoline-4-carboxylic acid, 6-chloro-3-(methylsulfanyl)-2-phenylquinoline-4-carboxylicacid, 6-chloro-3-methylsulfanyl-2-phenyl-quinoline-4-carboxylic acid
| Molecular Formula | C17H12ClNO2S |
|---|---|
| Molecular Weight | 329.03 g/mol |
| LogP | 4.9753 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.02774 |
| Heavy Atoms | 22 |
| Complexity | 865.412 |
Chemical Identifiers
| CAS Number | 400079-64-3 |
|---|---|
| SMILES | CSC1=C(C2=C(C=CC(=C2)Cl)N=C1C3=CC=CC=C3)C(=O)O |
Product Overview
6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid (CAS 400079-64-3), with molecular formula C17H12ClNO2S and molecular weight 329.03 g/mol. IUPAC: 6-chloro-3-methylsulfanyl-2-phenylquinoline-4-carboxylic acid.
Chemical Property Profile of 6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid
Property Insights of 6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid
The XLogP value of 4.9753 indicates that 6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid has 1 hydrogen bond donor(s) and 3 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 6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid?
The CAS number of 6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid is 400079-64-3.
What is the molecular formula of 6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid?
The molecular formula of 6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid is C17H12ClNO2S.
What is the molecular weight of 6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid?
The molecular weight of 6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid is 329.03 g/mol.
Where can I buy 6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid?
You can request a quote for 6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-3-(methylsulfanyl)-2-phenyl-4-quinolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.