4-(4-Chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid
TL;DR: 4-(4-Chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid (CAS 139084-70-1) is a chemical compound with molecular formula C20H21ClN2O3 and molecular weight 372.12408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid
Also Known As: alpha-(2-(4-Chlorophenyl)-2-oxoethyl)-4-phenyl-1-piperazineacetic acid, 4-(4-chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid, 1-Piperazineacetic acid, alpha-(2-(4-chlorophenyl)-2-oxoethyl)-4-phenyl-
Technical Specifications
| Molecular Formula | C20H21ClN2O3 |
| Molecular Weight | 372.12408 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.12408 Da |
| Heavy Atoms | 26 |
| Complexity | 479.0 |
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(CC(=O)C3=CC=C(C=C3)Cl)C(=O)O |
| InChIKey | PWJZQCIJPXYEHJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid
Property Insights of 4-(4-Chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(4-Chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid?
The CAS number of 4-(4-Chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid is 139084-70-1.
What is the molecular formula of 4-(4-Chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid?
The molecular formula of 4-(4-Chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid is C20H21ClN2O3.
What is the molecular weight of 4-(4-Chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid?
The molecular weight of 4-(4-Chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid is 372.12408 g/mol.
Where can I buy 4-(4-Chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid?
You can request a quote for 4-(4-Chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4-Chlorophenyl)-4-oxo-2-(4-phenylpiperazin-1-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.