4-((3-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
TL;DR: 4-((3-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid (CAS 540763-96-0) is a chemical compound with molecular formula C16H22ClN3O3 and molecular weight 339.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-chloro-2-methylanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
Also Known As: 4-((3-chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid, F1278-0588, 4-(3-chloro-2-methylanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid, 3-[(3-chloro-2-methyl-phenyl)carbamoyl]-2-(4-methylpiperazin-1-yl)propanoic Acid, 3-[N-(3-chloro-2-methylphenyl)carbamoyl]-2-(4-methylpiperazinyl)propanoic acid
| Molecular Formula | C16H22ClN3O3 |
|---|---|
| Molecular Weight | 339.13 g/mol |
| LogP | 1.67762 |
| Topological Polar Surface Area | 72.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.13498 |
| Heavy Atoms | 23 |
| Complexity | 585.9332 |
Chemical Identifiers
| CAS Number | 540763-96-0 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CC(C(=O)O)N2CCN(CC2)C |
Product Overview
4-((3-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid (CAS 540763-96-0), with molecular formula C16H22ClN3O3 and molecular weight 339.13 g/mol. IUPAC: 4-(3-chloro-2-methylanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-((3-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
Property Insights of 4-((3-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
The XLogP value of 1.67762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((3-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid. The TPSA of 72.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((3-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid has 2 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-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid?
The CAS number of 4-((3-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid is 540763-96-0.
What is the molecular formula of 4-((3-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid?
The molecular formula of 4-((3-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid is C16H22ClN3O3.
What is the molecular weight of 4-((3-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid?
The molecular weight of 4-((3-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid is 339.13 g/mol.
Where can I buy 4-((3-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid?
You can request a quote for 4-((3-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-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-((3-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-Chloro-2-methylphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.