![4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid structure](/static/products/1024/1024591-91-0.webp)
4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid
TL;DR: 4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid (CAS 1024591-91-0) is a chemical compound with molecular formula C20H19BrN2O3 and molecular weight 414.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-2-[2-(1H-indol-2-yl)ethylamino]-4-oxobutanoic acid
Also Known As: TimTec1_000523, 4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid, 4-(4-bromophenyl)-2-[2-(1H-indol-2-yl)ethylamino]-4-oxobutanoic acid, 4-(4-bromophenyl)-2-[(2-indol-2-ylethyl)amino]-4-oxobutanoic acid, 4-(4-Bromophenyl)-2-((2-(1H-indol-2-yl)ethyl)amino)-4-oxobutanoic acid
| Molecular Formula | C20H19BrN2O3 |
|---|---|
| Molecular Weight | 414.06 g/mol |
| LogP | 3.7887 |
| Topological Polar Surface Area | 82.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 414.05792 |
| Heavy Atoms | 26 |
| Complexity | 885.2108 |
Chemical Identifiers
| CAS Number | 1024591-91-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(N2)CCNC(CC(=O)C3=CC=C(C=C3)Br)C(=O)O |
Product Overview
4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid (CAS 1024591-91-0), with molecular formula C20H19BrN2O3 and molecular weight 414.06 g/mol. IUPAC: 4-(4-bromophenyl)-2-[2-(1H-indol-2-yl)ethylamino]-4-oxobutanoic acid.
Chemical Property Profile of 4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid
Property Insights of 4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid
The XLogP value of 3.7887 indicates that 4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid has 3 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 4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid?
The CAS number of 4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid is 1024591-91-0.
What is the molecular formula of 4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid?
The molecular formula of 4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid is C20H19BrN2O3.
What is the molecular weight of 4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid?
The molecular weight of 4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid is 414.06 g/mol.
Where can I buy 4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid?
You can request a quote for 4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-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-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-bromophenyl)-2-{[2-(1H-indol-2-yl)ethyl]amino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.