4-(4-Methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
TL;DR: 4-(4-Methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid (CAS 329078-79-7) is a chemical compound with molecular formula C16H22N2O3 and molecular weight 290.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
Also Known As: TimTec1_001312, 4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid, 4-(4-methylphenyl)-2-(4-methylpiperazino)-4-oxobutanoic acid, BRD-A79313888-001-01-5, 2-(4-methylpiperazin-1-yl)-4-oxo-4-(p-tolyl)butanoic acid
| Molecular Formula | C16H22N2O3 |
|---|---|
| Molecular Weight | 290.16 g/mol |
| LogP | 1.26842 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.16306 |
| Heavy Atoms | 21 |
| Complexity | 504.7583 |
Chemical Identifiers
| CAS Number | 329078-79-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)CC(C(=O)O)N2CCN(CC2)C |
Product Overview
4-(4-Methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid (CAS 329078-79-7), with molecular formula C16H22N2O3 and molecular weight 290.16 g/mol. IUPAC: 4-(4-methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(4-Methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
Property Insights of 4-(4-Methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid
The XLogP value of 1.26842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(4-Methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid has 1 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-(4-Methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid?
The CAS number of 4-(4-Methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid is 329078-79-7.
What is the molecular formula of 4-(4-Methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid?
The molecular formula of 4-(4-Methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid is C16H22N2O3.
What is the molecular weight of 4-(4-Methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid?
The molecular weight of 4-(4-Methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid is 290.16 g/mol.
Where can I buy 4-(4-Methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid?
You can request a quote for 4-(4-Methylphenyl)-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-Methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylphenyl)-2-(4-methylpiperazin-1-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.