![[(2-Methylquinolin-4-yl)thio]acetic acid structure](/static/products/1042/104294-26-0.webp)
[(2-Methylquinolin-4-yl)thio]acetic acid
TL;DR: [(2-Methylquinolin-4-yl)thio]acetic acid (CAS 104294-26-0) is a chemical compound with molecular formula C12H11NO2S and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylquinolin-4-yl)sulfanylacetic acid
Also Known As: [(2-methylquinolin-4-yl)thio]acetic acid|2-(2-methyl-4-quinolylthio)acetic acid|2-(2-methylquinolin-4-yl)sulfanylacetic Acid|(2-methylquinolin-4-ylsulfanyl)acetic acid|2-((2-methylquinolin-4-yl)thio)acetic acid|BB 0221471|(2-Methyl-quinolin-4-ylsulfanyl)-acetic acid|[(2-methylquinolin-4-yl)sulfanyl]acetic acid|2-[(2-METHYL-4-QUINOLYL)SULFANYL]ACETIC ACID
| Molecular Formula | C12H11NO2S |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 2.71992 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.05106 |
| Heavy Atoms | 16 |
| Complexity | 539.52985 |
Chemical Identifiers
| CAS Number | 104294-26-0 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=C1)SCC(=O)O |
Product Overview
[(2-Methylquinolin-4-yl)thio]acetic acid (CAS 104294-26-0), with molecular formula C12H11NO2S and molecular weight 233.05 g/mol. IUPAC: 2-(2-methylquinolin-4-yl)sulfanylacetic acid.
Chemical Property Profile of [(2-Methylquinolin-4-yl)thio]acetic acid
Property Insights of [(2-Methylquinolin-4-yl)thio]acetic acid
The XLogP value of 2.71992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(2-Methylquinolin-4-yl)thio]acetic acid. With a topological polar surface area (TPSA) of 50.19 Ų, [(2-Methylquinolin-4-yl)thio]acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(2-Methylquinolin-4-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-Methylquinolin-4-yl)thio]acetic acid?
The CAS number of [(2-Methylquinolin-4-yl)thio]acetic acid is 104294-26-0.
What is the molecular formula of [(2-Methylquinolin-4-yl)thio]acetic acid?
The molecular formula of [(2-Methylquinolin-4-yl)thio]acetic acid is C12H11NO2S.
What is the molecular weight of [(2-Methylquinolin-4-yl)thio]acetic acid?
The molecular weight of [(2-Methylquinolin-4-yl)thio]acetic acid is 233.05 g/mol.
Where can I buy [(2-Methylquinolin-4-yl)thio]acetic acid?
You can request a quote for [(2-Methylquinolin-4-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-Methylquinolin-4-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(2-Methylquinolin-4-yl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.