2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid
TL;DR: 2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid (CAS 105576-79-2) is a chemical compound with molecular formula C17H13NO3 and molecular weight 279.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid
Also Known As: Bionet2_001573, 2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid, 2-(1-methyl-4-oxo-1,4-dihydroquinolin-3-yl)benzoic acid, 2-(1-methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid, 2-(1-methyl-4-oxo-3-quinolyl)benzoic acid
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 2.9037 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 909.2974 |
Chemical Identifiers
| CAS Number | 105576-79-2 |
|---|---|
| SMILES | CN1C=C(C(=O)C2=CC=CC=C21)C3=CC=CC=C3C(=O)O |
Product Overview
2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid (CAS 105576-79-2), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: 2-(1-methyl-4-oxoquinolin-3-yl)benzoic acid.
Chemical Property Profile of 2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid
Property Insights of 2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid
The XLogP value of 2.9037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid. With a topological polar surface area (TPSA) of 59.3 Ų, 2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid has 1 hydrogen bond donor(s) and 2 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-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid?
The CAS number of 2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid is 105576-79-2.
What is the molecular formula of 2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid?
The molecular formula of 2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid is C17H13NO3.
What is the molecular weight of 2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid?
The molecular weight of 2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid is 279.09 g/mol.
Where can I buy 2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid?
You can request a quote for 2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methyl-4-oxo-1,4-dihydro-3-quinolinyl)benzenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.