2-((4,8-Dimethylquinolin-2-yl)thio)acetic acid
TL;DR: 2-((4,8-Dimethylquinolin-2-yl)thio)acetic acid (CAS 370843-65-5) is a chemical compound with molecular formula C13H13NO2S and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid
Also Known As: 2-((4,8-Dimethylquinolin-2-yl)thio)acetic acid, (4,8-Dimethyl-quinolin-2-ylsulfanyl)-acetic acid, BAS 02839799, 2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid, 2-(4,8-dimethyl-2-quinolylthio)acetic acid
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 370843-65-5 |
|---|---|
| SMILES | CC1=C2C(=CC=C1)C(=CC(=N2)SCC(=O)O)C |
| InChIKey | CJPQHSHSXLRYFT-UHFFFAOYSA-N |
Product Overview
2-((4,8-Dimethylquinolin-2-yl)thio)acetic acid (CAS 370843-65-5), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: 2-(4,8-dimethylquinolin-2-yl)sulfanylacetic acid.
Chemical Property Profile of 2-((4,8-Dimethylquinolin-2-yl)thio)acetic acid
Property Insights of 2-((4,8-Dimethylquinolin-2-yl)thio)acetic acid
The XLogP value of 3.4 indicates that 2-((4,8-Dimethylquinolin-2-yl)thio)acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4,8-Dimethylquinolin-2-yl)thio)acetic acid. Following Lipinski's Rule of Five, 2-((4,8-Dimethylquinolin-2-yl)thio)acetic acid has 1 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 2-((4,8-Dimethylquinolin-2-yl)thio)acetic acid?
The CAS number of 2-((4,8-Dimethylquinolin-2-yl)thio)acetic acid is 370843-65-5.
What is the molecular formula of 2-((4,8-Dimethylquinolin-2-yl)thio)acetic acid?
The molecular formula of 2-((4,8-Dimethylquinolin-2-yl)thio)acetic acid is C13H13NO2S.
What is the molecular weight of 2-((4,8-Dimethylquinolin-2-yl)thio)acetic acid?
The molecular weight of 2-((4,8-Dimethylquinolin-2-yl)thio)acetic acid is 247.07 g/mol.
Where can I buy 2-((4,8-Dimethylquinolin-2-yl)thio)acetic acid?
You can request a quote for 2-((4,8-Dimethylquinolin-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-((4,8-Dimethylquinolin-2-yl)thio)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4,8-Dimethylquinolin-2-yl)thio)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.