3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid
TL;DR: 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid (CAS 553616-65-2) is a chemical compound with molecular formula C22H26N2O2 and molecular weight 350.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid
Also Known As: 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic Acid
| Molecular Formula | C22H26N2O2 |
|---|---|
| Molecular Weight | 350.20 g/mol |
| LogP | 4.68532 |
| Topological Polar Surface Area | 79.11 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.19943 |
| Heavy Atoms | 26 |
| Complexity | 923.4604 |
Chemical Identifiers
| CAS Number | 553616-65-2 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C2=C(C3=C(C=CC(=C3N2)C)C(=O)O)CCCCN |
Product Overview
3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid (CAS 553616-65-2), with molecular formula C22H26N2O2 and molecular weight 350.20 g/mol. IUPAC: 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid.
Chemical Property Profile of 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid
Property Insights of 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid
The XLogP value of 4.68532 indicates that 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid. Following Lipinski's Rule of Five, 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid has 3 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-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid?
The CAS number of 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid is 553616-65-2.
What is the molecular formula of 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid?
The molecular formula of 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid is C22H26N2O2.
What is the molecular weight of 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid?
The molecular weight of 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid is 350.20 g/mol.
Where can I buy 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid?
You can request a quote for 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-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-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-aminobutyl)-2-(4-ethylphenyl)-7-methyl-1H-indole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.