2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid
TL;DR: 2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid (CAS 54104-22-2) is a chemical compound with molecular formula C20H19NO3 and molecular weight 321.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid
Also Known As: 2-(1-methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid, 2-(1-methyl-1H-indol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid, AO-990/37423018, 2-(1-Methyl-1H-indol-3-yl)-4-oxo-4-(p-tolyl)butanoic acid, 2-(1-methyl-indol-3-yl)-4-oxo-4-p-tolyl-butyric acid
| Molecular Formula | C20H19NO3 |
|---|---|
| Molecular Weight | 321.14 g/mol |
| LogP | 3.92792 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 321.1365 |
| Heavy Atoms | 24 |
| Complexity | 906.28357 |
Chemical Identifiers
| CAS Number | 54104-22-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC(C2=CN(C3=CC=CC=C32)C)C(=O)O |
Product Overview
2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid (CAS 54104-22-2), with molecular formula C20H19NO3 and molecular weight 321.14 g/mol. IUPAC: 2-(1-methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid.
Chemical Property Profile of 2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid
Property Insights of 2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid
The XLogP value of 3.92792 indicates that 2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.3 Ų, 2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid has 1 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 2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid?
The CAS number of 2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid is 54104-22-2.
What is the molecular formula of 2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid?
The molecular formula of 2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid is C20H19NO3.
What is the molecular weight of 2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid?
The molecular weight of 2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid is 321.14 g/mol.
Where can I buy 2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid?
You can request a quote for 2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.