2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic acid
TL;DR: 2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic acid (CAS 886498-76-6) is a chemical compound with molecular formula C12H10ClNO2S and molecular weight 267.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-chloro-4-methylquinolin-2-yl)sulfanylacetic acid
Also Known As: 2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic acid, (6-Chloro-4-methyl-quinolin-2-ylsulfanyl)-acetic acid, (6-Chloro-4-methylquinolin-2-ylsulfanyl)acetic acid, 2-((6-Chloro-4-methylquinolin-2-yl)thio)aceticacid, 2-[(6-Chloro-4-methyl-2-quinolinyl)thio]acetic acid
| Molecular Formula | C12H10ClNO2S |
|---|---|
| Molecular Weight | 267.01 g/mol |
| LogP | 3.37332 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.0121 |
| Heavy Atoms | 17 |
| Complexity | 585.9725 |
Chemical Identifiers
| CAS Number | 886498-76-6 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C=C(C=C2)Cl)SCC(=O)O |
Product Overview
2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic acid (CAS 886498-76-6), with molecular formula C12H10ClNO2S and molecular weight 267.01 g/mol. IUPAC: 2-(6-chloro-4-methylquinolin-2-yl)sulfanylacetic acid.
Chemical Property Profile of 2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic acid
Property Insights of 2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic acid
The XLogP value of 3.37332 indicates that 2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic 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, 2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic 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 2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic acid?
The CAS number of 2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic acid is 886498-76-6.
What is the molecular formula of 2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic acid?
The molecular formula of 2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic acid is C12H10ClNO2S.
What is the molecular weight of 2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic acid?
The molecular weight of 2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic acid is 267.01 g/mol.
Where can I buy 2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic acid?
You can request a quote for 2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-Chloro-4-methylquinolin-2-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.