![2-[(4-Methylquinolin-2-yl)sulfanyl]acetic acid structure](/static/products/1788/17880-62-5.webp)
2-[(4-Methylquinolin-2-yl)sulfanyl]acetic acid
TL;DR: 2-[(4-Methylquinolin-2-yl)sulfanyl]acetic acid (CAS 17880-62-5) 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-(4-methylquinolin-2-yl)sulfanylacetic acid
Also Known As: [(4-methylquinolin-2-yl)sulfanyl]acetic acid|(4-Methyl-quinolin-2-ylsulfanyl)-acetic acid|2-Fluorobenzotrichloride|Enamine_004155|Oprea1_395328|Oprea1_660018|2-((4-Methylquinolin-2-yl)thio)acetic acid|2-(4-methylquinolin-2-yl)sulfanylacetic acid|2-[(4-methylquinolin-2-yl)sulfanyl]acetic acid|TOS-BB-0716|KST-1A2136|Acetic acid, 2-[(4-methyl-2-quinolinyl)thio]-|5974AD|(4-methyl-2-quinolylthio)acetic acid|BAS 01371000|[(4-methyl-2-quinolinyl)sulfanyl]acetic acid|2-(4-methyl-2-quinolylthio)acetic acid|[(4-methylquinolin-2-yl)thio]acetic acid|(4-Methylquinolin-2-ylsulfanyl)acetic acid|2-((4-Methylquinolin-2-yl)thio)aceticacid|(4-Methyl-quinolin-2-ylsulfanyl)acetic acid|EC-000.1597|(4-methyl-(quinolin-2-yl)sulfanyl)acetic acid
| Molecular Formula | C12H11NO2S |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 75.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.05106 |
| Heavy Atoms | 16 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 17880-62-5 |
|---|---|
| SMILES | CC1=CC(=NC2=CC=CC=C12)SCC(=O)O |
| InChIKey | LYRXFOXCAABCMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(4-Methylquinolin-2-yl)sulfanyl]acetic acid (CAS 17880-62-5), with molecular formula C12H11NO2S and molecular weight 233.05 g/mol. IUPAC: 2-(4-methylquinolin-2-yl)sulfanylacetic acid.
Chemical Property Profile of 2-[(4-Methylquinolin-2-yl)sulfanyl]acetic acid
Property Insights of 2-[(4-Methylquinolin-2-yl)sulfanyl]acetic acid
The XLogP value of 3.0 indicates that 2-[(4-Methylquinolin-2-yl)sulfanyl]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-Methylquinolin-2-yl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(4-Methylquinolin-2-yl)sulfanyl]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-Methylquinolin-2-yl)sulfanyl]acetic acid?
The CAS number of 2-[(4-Methylquinolin-2-yl)sulfanyl]acetic acid is 17880-62-5.
What is the molecular formula of 2-[(4-Methylquinolin-2-yl)sulfanyl]acetic acid?
The molecular formula of 2-[(4-Methylquinolin-2-yl)sulfanyl]acetic acid is C12H11NO2S.
What is the molecular weight of 2-[(4-Methylquinolin-2-yl)sulfanyl]acetic acid?
The molecular weight of 2-[(4-Methylquinolin-2-yl)sulfanyl]acetic acid is 233.05 g/mol.
Where can I buy 2-[(4-Methylquinolin-2-yl)sulfanyl]acetic acid?
You can request a quote for 2-[(4-Methylquinolin-2-yl)sulfanyl]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-Methylquinolin-2-yl)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Methylquinolin-2-yl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.