3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester
TL;DR: 3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester (CAS 384364-64-1) is a chemical compound with molecular formula C13H11NO4 and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-acetyl-4-oxo-1H-quinoline-8-carboxylate
Also Known As: methyl 3-acetyl-4-hydroxyquinoline-8-carboxylate, methyl 3-acetyl-4-oxo-1H-quinoline-8-carboxylate, 3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester, methyl 3-acetyl-4-oxo-1,4-dihydroquinoline-8-carboxylate
| Molecular Formula | C13H11NO4 |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 1.5173 |
| Topological Polar Surface Area | 76.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.0688 |
| Heavy Atoms | 18 |
| Complexity | 699.6937 |
Chemical Identifiers
| CAS Number | 384364-64-1 |
|---|---|
| SMILES | CC(=O)C1=CNC2=C(C1=O)C=CC=C2C(=O)OC |
Product Overview
3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester (CAS 384364-64-1), with molecular formula C13H11NO4 and molecular weight 245.07 g/mol. IUPAC: methyl 3-acetyl-4-oxo-1H-quinoline-8-carboxylate.
Chemical Property Profile of 3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester
Property Insights of 3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester
The XLogP value of 1.5173 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester. The TPSA of 76.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester. Following Lipinski's Rule of Five, 3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester 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 3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester?
The CAS number of 3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester is 384364-64-1.
What is the molecular formula of 3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester?
The molecular formula of 3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester is C13H11NO4.
What is the molecular weight of 3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester?
The molecular weight of 3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester is 245.07 g/mol.
Where can I buy 3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester?
You can request a quote for 3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-4-hydroxy-quinoline-8-carboxylic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.