![2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid structure](/static/products/1008/1008076-22-9.webp)
2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid
TL;DR: 2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid (CAS 1008076-22-9) is a chemical compound with molecular formula C16H14BrNO3 and molecular weight 347.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromoanilino)-4-oxo-4-phenylbutanoic acid
Also Known As: 2-[(4-bromophenyl)amino]-4-oxo-4-phenylbutanoic acid, 2-((4-bromophenyl)amino)-4-oxo-4-phenylbutanoic acid, 2-(4-bromoanilino)-4-oxo-4-phenylbutanoic acid, AB00311251-02, 2-[(4-bromophenyl)amino]-4-oxo-4-phenyl-butanoic Acid
| Molecular Formula | C16H14BrNO3 |
|---|---|
| Molecular Weight | 347.02 g/mol |
| LogP | 3.5872 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.01572 |
| Heavy Atoms | 21 |
| Complexity | 625.73016 |
Chemical Identifiers
| CAS Number | 1008076-22-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(C(=O)O)NC2=CC=C(C=C2)Br |
Product Overview
2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid (CAS 1008076-22-9), with molecular formula C16H14BrNO3 and molecular weight 347.02 g/mol. IUPAC: 2-(4-bromoanilino)-4-oxo-4-phenylbutanoic acid.
Chemical Property Profile of 2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid
Property Insights of 2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid
The XLogP value of 3.5872 indicates that 2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid. Following Lipinski's Rule of Five, 2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid has 2 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-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid?
The CAS number of 2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid is 1008076-22-9.
What is the molecular formula of 2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid?
The molecular formula of 2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid is C16H14BrNO3.
What is the molecular weight of 2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid?
The molecular weight of 2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid is 347.02 g/mol.
Where can I buy 2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid?
You can request a quote for 2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Bromophenyl)amino]-4-oxo-4-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.