2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester
TL;DR: 2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester (CAS 39497-05-7) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-oxo-1H-quinoline-4-carboxylate
Also Known As: BAS 06103657, methylethyl 2-hydroxyquinoline-4-carboxylate, propan-2-yl 2-hydroxyquinoline-4-carboxylate, propan-2-yl 2-oxo-1H-quinoline-4-carboxylate, 2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester
| Molecular Formula | C13H13NO3 |
|---|---|
| Molecular Weight | 231.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 231.08954 |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 39497-05-7 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC(=O)NC2=CC=CC=C21 |
| InChIKey | PLLXXQKZCCYCPW-UHFFFAOYSA-N |
Product Overview
2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester (CAS 39497-05-7), with molecular formula C13H13NO3 and molecular weight 231.09 g/mol. IUPAC: propan-2-yl 2-oxo-1H-quinoline-4-carboxylate.
Chemical Property Profile of 2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester
Property Insights of 2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, 2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester 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 2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester?
The CAS number of 2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester is 39497-05-7.
What is the molecular formula of 2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester?
The molecular formula of 2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester is C13H13NO3.
What is the molecular weight of 2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester?
The molecular weight of 2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester is 231.09 g/mol.
Where can I buy 2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester?
You can request a quote for 2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-quinoline-4-carboxylic acid isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.