2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid
TL;DR: 2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid (CAS 445032-80-4) is a chemical compound with molecular formula C21H21NO2 and molecular weight 319.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-butan-2-ylphenyl)-3-methylquinoline-4-carboxylic acid
Also Known As: 2-(4-sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid, AB01333749-02, 2-[4-(butan-2-yl)phenyl]-3-methylquinoline-4-carboxylic acid, 2-(4-butan-2-ylphenyl)-3-methylquinoline-4-carboxylic acid, 3-methyl-2-[4-(methylpropyl)phenyl]quinoline-4-carboxylic acid
| Molecular Formula | C21H21NO2 |
|---|---|
| Molecular Weight | 319.16 g/mol |
| LogP | 5.42192 |
| Topological Polar Surface Area | 50.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.15723 |
| Heavy Atoms | 24 |
| Complexity | 897.60583 |
Chemical Identifiers
| CAS Number | 445032-80-4 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2C)C(=O)O |
Product Overview
2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid (CAS 445032-80-4), with molecular formula C21H21NO2 and molecular weight 319.16 g/mol. IUPAC: 2-(4-butan-2-ylphenyl)-3-methylquinoline-4-carboxylic acid.
Chemical Property Profile of 2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid
Property Insights of 2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid
The XLogP value of 5.42192 indicates that 2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic 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, 2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid?
The CAS number of 2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid is 445032-80-4.
What is the molecular formula of 2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid?
The molecular formula of 2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid is C21H21NO2.
What is the molecular weight of 2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid?
The molecular weight of 2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid is 319.16 g/mol.
Where can I buy 2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid?
You can request a quote for 2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Sec-butylphenyl)-3-methyl-4-quinolinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.