4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester
TL;DR: 4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester (CAS 57276-28-5) is a chemical compound with molecular formula C17H18ClNO3 and molecular weight 319.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-2-methyl-3-(3-oxobutyl)quinoline-6-carboxylate
Also Known As: BAS 00733450, BIM-0028009.P001, 4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester, ethyl 4-chloro-2-methyl-3-(3-oxobutyl)-6-quinolinecarboxylate, ethyl 4-chloro-2-methyl-3-(3-oxobutyl)quinoline-6-carboxylate
| Molecular Formula | C17H18ClNO3 |
|---|---|
| Molecular Weight | 319.10 g/mol |
| LogP | 3.89492 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.09753 |
| Heavy Atoms | 22 |
| Complexity | 740.2517 |
Chemical Identifiers
| CAS Number | 57276-28-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C(=C(N=C2C=C1)C)CCC(=O)C)Cl |
Product Overview
4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester (CAS 57276-28-5), with molecular formula C17H18ClNO3 and molecular weight 319.10 g/mol. IUPAC: ethyl 4-chloro-2-methyl-3-(3-oxobutyl)quinoline-6-carboxylate.
Chemical Property Profile of 4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester
Property Insights of 4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester
The XLogP value of 3.89492 indicates that 4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester has 0 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 4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester?
The CAS number of 4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester is 57276-28-5.
What is the molecular formula of 4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester?
The molecular formula of 4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester is C17H18ClNO3.
What is the molecular weight of 4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester?
The molecular weight of 4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester is 319.10 g/mol.
Where can I buy 4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester?
You can request a quote for 4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-methyl-3-(3-oxo-butyl)-quinoline-6-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.