1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
TL;DR: 1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 36191-19-2) 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.
1-benzyl-4-oxoquinoline-3-carboxylic acid
Also Known As: 1-benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 1-benzyl-4-oxoquinoline-3-carboxylic acid, 1-benzyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid, J1.365.550B, 1-benzyl-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
| Molecular Formula | C17H13NO3 |
|---|---|
| Molecular Weight | 279.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.08954 |
| Heavy Atoms | 21 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 36191-19-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C=C(C(=O)C3=CC=CC=C32)C(=O)O |
| InChIKey | CCWROOWBCZEPAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 36191-19-2), with molecular formula C17H13NO3 and molecular weight 279.09 g/mol. IUPAC: 1-benzyl-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Property Insights of 1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
The XLogP value of 3.5 indicates that 1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, 1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic 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 1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The CAS number of 1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 36191-19-2.
What is the molecular formula of 1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular formula of 1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is C17H13NO3.
What is the molecular weight of 1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular weight of 1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 279.09 g/mol.
Where can I buy 1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
You can request a quote for 1-Benzyl-4-oxo-1,4-dihydroquinoline-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 1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzyl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.