8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid
TL;DR: 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid (CAS 170648-66-5) is a chemical compound with molecular formula C11H9NO3S and molecular weight 235.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid
Also Known As: 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic Acid, 3-Quinolinecarboxylic acid, 1,4-dihydro-8-(methylthio)-4-oxo-
| Molecular Formula | C11H9NO3S |
|---|---|
| Molecular Weight | 235.03 g/mol |
| LogP | 1.9482 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.03032 |
| Heavy Atoms | 16 |
| Complexity | 618.14606 |
Chemical Identifiers
| CAS Number | 170648-66-5 |
|---|---|
| SMILES | CSC1=CC=CC2=C1NC=C(C2=O)C(=O)O |
Product Overview
8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid (CAS 170648-66-5), with molecular formula C11H9NO3S and molecular weight 235.03 g/mol. IUPAC: 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid.
Chemical Property Profile of 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid
Property Insights of 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid
The XLogP value of 1.9482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid. Following Lipinski's Rule of Five, 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid has 2 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 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid?
The CAS number of 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid is 170648-66-5.
What is the molecular formula of 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid?
The molecular formula of 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid is C11H9NO3S.
What is the molecular weight of 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid?
The molecular weight of 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid is 235.03 g/mol.
Where can I buy 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid?
You can request a quote for 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 8-methylsulfanyl-4-oxo-1H-quinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.