4-((4-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid
TL;DR: 4-((4-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid (CAS 1050442-89-1) is a chemical compound with molecular formula C18H19ClN2O3 and molecular weight 346.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloroanilino)-4-oxo-2-(2-phenylethylamino)butanoic acid
Also Known As: IFLab1_004776, IDI1_010531, 4-((4-chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid, F1124-0078, AF-399/15540041
| Molecular Formula | C18H19ClN2O3 |
|---|---|
| Molecular Weight | 346.11 g/mol |
| LogP | 2.9541 |
| Topological Polar Surface Area | 78.43 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 346.10843 |
| Heavy Atoms | 24 |
| Complexity | 674.42303 |
Chemical Identifiers
| CAS Number | 1050442-89-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCNC(CC(=O)NC2=CC=C(C=C2)Cl)C(=O)O |
Product Overview
4-((4-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid (CAS 1050442-89-1), with molecular formula C18H19ClN2O3 and molecular weight 346.11 g/mol. IUPAC: 4-(4-chloroanilino)-4-oxo-2-(2-phenylethylamino)butanoic acid.
Chemical Property Profile of 4-((4-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid
Property Insights of 4-((4-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid
The XLogP value of 2.9541 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid. The TPSA of 78.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid. Following Lipinski's Rule of Five, 4-((4-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic 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-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid?
The CAS number of 4-((4-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid is 1050442-89-1.
What is the molecular formula of 4-((4-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid?
The molecular formula of 4-((4-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid is C18H19ClN2O3.
What is the molecular weight of 4-((4-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid?
The molecular weight of 4-((4-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid is 346.11 g/mol.
Where can I buy 4-((4-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid?
You can request a quote for 4-((4-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic 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-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Chlorophenyl)amino)-4-oxo-2-(phenethylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.