3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid
TL;DR: 3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid (CAS 5690-94-8) is a chemical compound with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butyl-4-chloro-2-methylquinoline-6-carboxylic acid
Also Known As: 3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid, BAS 00733308, 3-butyl-4-chloro-2-methylquinoline-6-carboxylic acid, BIM-0028264.P001, 3-butyl-4-chloro-2-methyl-6-quinolinecarboxylic acid
| Molecular Formula | C15H16ClNO2 |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 4.23742 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.08694 |
| Heavy Atoms | 19 |
| Complexity | 637.5684 |
Chemical Identifiers
| CAS Number | 5690-94-8 |
|---|---|
| SMILES | CCCCC1=C(N=C2C=CC(=CC2=C1Cl)C(=O)O)C |
Product Overview
3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid (CAS 5690-94-8), with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol. IUPAC: 3-butyl-4-chloro-2-methylquinoline-6-carboxylic acid.
Chemical Property Profile of 3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid
Property Insights of 3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid
The XLogP value of 4.23742 indicates that 3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.19 Ų, 3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic 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 3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid?
The CAS number of 3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid is 5690-94-8.
What is the molecular formula of 3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid?
The molecular formula of 3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid is C15H16ClNO2.
What is the molecular weight of 3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid?
The molecular weight of 3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid is 277.09 g/mol.
Where can I buy 3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid?
You can request a quote for 3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Butyl-4-chloro-2-methyl-quinoline-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.