Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)-
TL;DR: Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)- (CAS 462068-47-9) 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-methylquinolin-2-yl)sulfanylpropanoic acid
Also Known As: 2-[(4-METHYL-2-QUINOLINYL)THIO]PROPANOIC ACID, ChemDiv3_004992, 2-((4-Methylquinolin-2-yl)thio)propanoic acid, CHEMBRDG-BB7433129, CHEMBRDG-BB 7433129
| Molecular Formula | C13H13NO2S |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 3.10842 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.0667 |
| Heavy Atoms | 17 |
| Complexity | 568.3481 |
Chemical Identifiers
| CAS Number | 462068-47-9 |
|---|---|
| SMILES | CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)O |
Product Overview
Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)- (CAS 462068-47-9), with molecular formula C13H13NO2S and molecular weight 247.07 g/mol. IUPAC: 2-(4-methylquinolin-2-yl)sulfanylpropanoic acid.
Chemical Property Profile of Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)-
Property Insights of Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)-
The XLogP value of 3.10842 indicates that Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)- 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 Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)-?
The CAS number of Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)- is 462068-47-9.
What is the molecular formula of Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)-?
The molecular formula of Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)- is C13H13NO2S.
What is the molecular weight of Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)-?
The molecular weight of Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)- is 247.07 g/mol.
Where can I buy Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)-?
You can request a quote for Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-((4-methyl-2-quinolinyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.