3-(4-Methylquinolin-2-yl)sulfanylpropanoic acid
TL;DR: 3-(4-Methylquinolin-2-yl)sulfanylpropanoic acid (CAS 364341-27-5) 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.
3-(4-methylquinolin-2-yl)sulfanylpropanoic acid
Also Known As: 3-(4-methylquinolin-2-yl)sulfanylpropanoic acid, 3-(4-methyl-2-quinolylthio)propanoic acid, 3-(4-methyl-2-quinolylthio)propionic acid, 3-(4-Methyl-quinolin-2-ylsulfanyl)-propionic acid, 3-[(4-methylquinolin-2-yl)sulfanyl]propanoic acid
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 364341-27-5 |
|---|---|
| SMILES | CC1=CC(=NC2=CC=CC=C12)SCCC(=O)O |
| InChIKey | FQBIMWFPTSDHNL-UHFFFAOYSA-N |
Product Overview
3-(4-Methylquinolin-2-yl)sulfanylpropanoic acid (CAS 364341-27-5), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: 3-(4-methylquinolin-2-yl)sulfanylpropanoic acid.
Chemical Property Profile of 3-(4-Methylquinolin-2-yl)sulfanylpropanoic acid
Property Insights of 3-(4-Methylquinolin-2-yl)sulfanylpropanoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylquinolin-2-yl)sulfanylpropanoic acid. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methylquinolin-2-yl)sulfanylpropanoic acid. Following Lipinski's Rule of Five, 3-(4-Methylquinolin-2-yl)sulfanylpropanoic 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 3-(4-Methylquinolin-2-yl)sulfanylpropanoic acid?
The CAS number of 3-(4-Methylquinolin-2-yl)sulfanylpropanoic acid is 364341-27-5.
What is the molecular formula of 3-(4-Methylquinolin-2-yl)sulfanylpropanoic acid?
The molecular formula of 3-(4-Methylquinolin-2-yl)sulfanylpropanoic acid is C13H13NO2S.
What is the molecular weight of 3-(4-Methylquinolin-2-yl)sulfanylpropanoic acid?
The molecular weight of 3-(4-Methylquinolin-2-yl)sulfanylpropanoic acid is 247.07 g/mol.
Where can I buy 3-(4-Methylquinolin-2-yl)sulfanylpropanoic acid?
You can request a quote for 3-(4-Methylquinolin-2-yl)sulfanylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylquinolin-2-yl)sulfanylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylquinolin-2-yl)sulfanylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.