2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid
TL;DR: 2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid (CAS 39695-18-6) is a chemical compound with molecular formula C15H20N2O3 and molecular weight 276.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid
Also Known As: 2-(4-methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid, 1-Piperazineacetic acid, 4-methyl-alpha-(2-oxo-2-phenylethyl)-, 2-N-Methylpiperazino-4-oxo-4-phenyl-butansaeure, 4-Methyl-alpha-(2-oxo-2-phenylethyl)-1-piperazineacetic acid, alpha-(Methyl-4 piperazino-1) beta-benzoyl propionique acide [French]
| Molecular Formula | C15H20N2O3 |
|---|---|
| Molecular Weight | 276.15 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.1474 |
| Heavy Atoms | 20 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 39695-18-6 |
|---|---|
| SMILES | CN1CCN(CC1)C(CC(=O)C2=CC=CC=C2)C(=O)O |
| InChIKey | LTNPWXLKTZTDAS-UHFFFAOYSA-N |
Product Overview
2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid (CAS 39695-18-6), with molecular formula C15H20N2O3 and molecular weight 276.15 g/mol. IUPAC: 2-(4-methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid.
Chemical Property Profile of 2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid
Property Insights of 2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid
The XLogP value of -1.3 indicates that 2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid. Following Lipinski's Rule of Five, 2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic 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
Frequently Asked Questions
What is the CAS number of 2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid?
The CAS number of 2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid is 39695-18-6.
What is the molecular formula of 2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid?
The molecular formula of 2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid is C15H20N2O3.
What is the molecular weight of 2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid?
The molecular weight of 2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid is 276.15 g/mol.
Where can I buy 2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid?
You can request a quote for 2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylpiperazin-1-yl)-4-oxo-4-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.