3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid
TL;DR: 3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid (CAS 400079-75-6) is a chemical compound with molecular formula C26H22ClNO3 and molecular weight 431.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid
Also Known As: 2M-581S, 3-(4-tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid, 3-[4-(tert-butyl)phenoxy]-2-(4-chlorophenyl)-4-quinolinecarboxylic acid, 2-(4-chlorophenyl)-3-(4-tert-butylphenoxy)quinoline-4-carboxylic Acid, 3-(4-tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylicacid
| Molecular Formula | C26H22ClNO3 |
|---|---|
| Molecular Weight | 431.13 g/mol |
| LogP | 7.3432 |
| Topological Polar Surface Area | 59.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 431.1288 |
| Heavy Atoms | 31 |
| Complexity | 1257.068 |
Chemical Identifiers
| CAS Number | 400079-75-6 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)OC2=C(C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl)C(=O)O |
Product Overview
3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid (CAS 400079-75-6), with molecular formula C26H22ClNO3 and molecular weight 431.13 g/mol. IUPAC: 3-(4-tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid.
Chemical Property Profile of 3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid
Property Insights of 3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid
The XLogP value of 7.3432 indicates that 3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)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 59.42 Ų, 3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid?
The CAS number of 3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid is 400079-75-6.
What is the molecular formula of 3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid?
The molecular formula of 3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid is C26H22ClNO3.
What is the molecular weight of 3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid?
The molecular weight of 3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid is 431.13 g/mol.
Where can I buy 3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid?
You can request a quote for 3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)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 3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Tert-butylphenoxy)-2-(4-chlorophenyl)quinoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.