4-(4-Methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
TL;DR: 4-(4-Methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid (CAS 540763-75-5) is a chemical compound with molecular formula C16H23N3O4 and molecular weight 321.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
Also Known As: 4-(4-methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid, 4-((4-methoxyphenyl)amino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid, F1278-0249, 3-[(4-methoxyphenyl)carbamoyl]-2-(4-methylpiperazin-1-yl)propanoic Acid, 3-[N-(4-methoxyphenyl)carbamoyl]-2-(4-methylpiperazinyl)propanoic acid
| Molecular Formula | C16H23N3O4 |
|---|---|
| Molecular Weight | 321.17 g/mol |
| LogP | 0.7244 |
| Topological Polar Surface Area | 82.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 321.16885 |
| Heavy Atoms | 23 |
| Complexity | 538.7612 |
Chemical Identifiers
| CAS Number | 540763-75-5 |
|---|---|
| SMILES | CN1CCN(CC1)C(CC(=O)NC2=CC=C(C=C2)OC)C(=O)O |
Product Overview
4-(4-Methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid (CAS 540763-75-5), with molecular formula C16H23N3O4 and molecular weight 321.17 g/mol. IUPAC: 4-(4-methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(4-Methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
Property Insights of 4-(4-Methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
The XLogP value of 0.7244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid. The TPSA of 82.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(4-Methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 5 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-Methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid?
The CAS number of 4-(4-Methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid is 540763-75-5.
What is the molecular formula of 4-(4-Methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid?
The molecular formula of 4-(4-Methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid is C16H23N3O4.
What is the molecular weight of 4-(4-Methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid?
The molecular weight of 4-(4-Methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid is 321.17 g/mol.
Where can I buy 4-(4-Methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid?
You can request a quote for 4-(4-Methoxyanilino)-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-(4-Methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxyanilino)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.