4-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid
TL;DR: 4-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid (CAS 540763-94-8) is a chemical compound with molecular formula C16H23N3O3 and molecular weight 305.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dimethylanilino)-4-oxo-2-piperazin-1-ylbutanoic acid
Also Known As: 4-((3,5-dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid, F1278-0561, 4-(3,5-dimethylanilino)-4-oxo-2-piperazin-1-ylbutanoic acid, 3-[(3,5-dimethylphenyl)carbamoyl]-2-piperazin-1-yl-propanoic Acid, 3-[N-(3,5-dimethylphenyl)carbamoyl]-2-piperazinylpropanoic acid
| Molecular Formula | C16H23N3O3 |
|---|---|
| Molecular Weight | 305.17 g/mol |
| LogP | 0.99044 |
| Topological Polar Surface Area | 81.67 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 305.17395 |
| Heavy Atoms | 22 |
| Complexity | 533.3171 |
Chemical Identifiers
| CAS Number | 540763-94-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CC(C(=O)O)N2CCNCC2)C |
Product Overview
4-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid (CAS 540763-94-8), with molecular formula C16H23N3O3 and molecular weight 305.17 g/mol. IUPAC: 4-(3,5-dimethylanilino)-4-oxo-2-piperazin-1-ylbutanoic acid.
Chemical Property Profile of 4-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid
Property Insights of 4-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid
The XLogP value of 0.99044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid. The TPSA of 81.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid. Following Lipinski's Rule of Five, 4-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid has 3 hydrogen bond donor(s) and 4 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-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid?
The CAS number of 4-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid is 540763-94-8.
What is the molecular formula of 4-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid?
The molecular formula of 4-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid is C16H23N3O3.
What is the molecular weight of 4-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid?
The molecular weight of 4-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid is 305.17 g/mol.
Where can I buy 4-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid?
You can request a quote for 4-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)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-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((3,5-Dimethylphenyl)amino)-4-oxo-2-(piperazin-1-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.