4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid
TL;DR: 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid (CAS 937604-76-7) is a chemical compound with molecular formula C22H23NO3 and molecular weight 349.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid
Also Known As: 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid, 4-(4-(TERT-BUTYL)PHENYL)-2-INDOL-3-YL-4-OXOBUTANOIC ACID, 4-[4-(tert-butyl)phenyl]-2-indol-3-yl-4-oxobutanoic acid, 2-(1H-indol-3-yl)-4-oxo-4-(4-tert-butylphenyl)butanoic Acid, 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoicacid
| Molecular Formula | C22H23NO3 |
|---|---|
| Molecular Weight | 349.17 g/mol |
| LogP | 4.9066 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.1678 |
| Heavy Atoms | 26 |
| Complexity | 945.42786 |
Chemical Identifiers
| CAS Number | 937604-76-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)CC(C2=CNC3=CC=CC=C32)C(=O)O |
Product Overview
4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid (CAS 937604-76-7), with molecular formula C22H23NO3 and molecular weight 349.17 g/mol. IUPAC: 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid
Property Insights of 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid
The XLogP value of 4.9066 indicates that 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid has 2 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 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid?
The CAS number of 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid is 937604-76-7.
What is the molecular formula of 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid?
The molecular formula of 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid is C22H23NO3.
What is the molecular weight of 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid?
The molecular weight of 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid is 349.17 g/mol.
Where can I buy 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid?
You can request a quote for 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-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 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-tert-butylphenyl)-2-(1H-indol-3-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.