2-(3-Isobutoxyphenyl)-6-methylquinoline-4-carboxylic acid
TL;DR: 2-(3-Isobutoxyphenyl)-6-methylquinoline-4-carboxylic acid (CAS 438221-81-9) is a chemical compound with molecular formula C21H21NO3 and molecular weight 335.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid
Also Known As: 2-(3-isobutoxyphenyl)-6-methylquinoline-4-carboxylic acid, 6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid, 2-(3-isobutoxyphenyl)-6-methylquinoline-4-carboxylicacid, 2-(3-isobutoxyphenyl)-6-methyl-4-quinolinecarboxylic acid, 2-(3-isobutoxyphenyl)-6-methyl-quinoline-4-carboxylic acid
| Molecular Formula | C21H21NO3 |
|---|---|
| Molecular Weight | 335.15 g/mol |
| LogP | 4.94322 |
| Topological Polar Surface Area | 59.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.15213 |
| Heavy Atoms | 25 |
| Complexity | 931.5725 |
Chemical Identifiers
| CAS Number | 438221-81-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(C=C2C(=O)O)C3=CC(=CC=C3)OCC(C)C |
Product Overview
2-(3-Isobutoxyphenyl)-6-methylquinoline-4-carboxylic acid (CAS 438221-81-9), with molecular formula C21H21NO3 and molecular weight 335.15 g/mol. IUPAC: 6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid.
Chemical Property Profile of 2-(3-Isobutoxyphenyl)-6-methylquinoline-4-carboxylic acid
Property Insights of 2-(3-Isobutoxyphenyl)-6-methylquinoline-4-carboxylic acid
The XLogP value of 4.94322 indicates that 2-(3-Isobutoxyphenyl)-6-methylquinoline-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, 2-(3-Isobutoxyphenyl)-6-methylquinoline-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Isobutoxyphenyl)-6-methylquinoline-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 2-(3-Isobutoxyphenyl)-6-methylquinoline-4-carboxylic acid?
The CAS number of 2-(3-Isobutoxyphenyl)-6-methylquinoline-4-carboxylic acid is 438221-81-9.
What is the molecular formula of 2-(3-Isobutoxyphenyl)-6-methylquinoline-4-carboxylic acid?
The molecular formula of 2-(3-Isobutoxyphenyl)-6-methylquinoline-4-carboxylic acid is C21H21NO3.
What is the molecular weight of 2-(3-Isobutoxyphenyl)-6-methylquinoline-4-carboxylic acid?
The molecular weight of 2-(3-Isobutoxyphenyl)-6-methylquinoline-4-carboxylic acid is 335.15 g/mol.
Where can I buy 2-(3-Isobutoxyphenyl)-6-methylquinoline-4-carboxylic acid?
You can request a quote for 2-(3-Isobutoxyphenyl)-6-methylquinoline-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 2-(3-Isobutoxyphenyl)-6-methylquinoline-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Isobutoxyphenyl)-6-methylquinoline-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.