6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid
TL;DR: 6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid (CAS 445289-11-2) is a chemical compound with molecular formula C18H14ClNO2 and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid
Also Known As: 6-chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid, 4-Amino-3-chlorobenzonitrile, 6-Methoxy-3-pyridylboronic Acid Pinacol Ester, 2-(3,4-dimethylphenyl)-6-chloroquinoline-4-carboxylic acid, 6-chloro-2-(3,4-dimethylphenyl)-4-quinolinecarboxylic acid
| Molecular Formula | C18H14ClNO2 |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.07132 |
| Heavy Atoms | 22 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 445289-11-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)C(=C2)C(=O)O)C |
| InChIKey | NAFAYTBCOPFSHO-UHFFFAOYSA-N |
Product Overview
6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid (CAS 445289-11-2), with molecular formula C18H14ClNO2 and molecular weight 311.07 g/mol. IUPAC: 6-chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid.
Chemical Property Profile of 6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid
Property Insights of 6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid
The XLogP value of 4.7 indicates that 6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.2 Ų, 6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid 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 6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid?
The CAS number of 6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid is 445289-11-2.
What is the molecular formula of 6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid?
The molecular formula of 6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid is C18H14ClNO2.
What is the molecular weight of 6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid?
The molecular weight of 6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid is 311.07 g/mol.
Where can I buy 6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid?
You can request a quote for 6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-Chloro-2-(3,4-dimethylphenyl)quinoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.