4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid
TL;DR: 4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid (CAS 42574-70-9) is a chemical compound with molecular formula C9H14N2O3 and molecular weight 198.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enoic acid
Also Known As: maleic acid, mono(4-methylpiperazide), 4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid, (Z)-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enoic acid, cis-4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid, SDCCGMLS-0064498.P001
| Molecular Formula | C9H14N2O3 |
|---|---|
| Molecular Weight | 198.10 g/mol |
| LogP | -0.5988 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.10045 |
| Heavy Atoms | 14 |
| Complexity | 254.78268 |
Chemical Identifiers
| CAS Number | 42574-70-9 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)/C=C\C(=O)O |
Product Overview
4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid (CAS 42574-70-9), with molecular formula C9H14N2O3 and molecular weight 198.10 g/mol. IUPAC: (Z)-4-(4-methylpiperazin-1-yl)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid
Property Insights of 4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid
The XLogP value of -0.5988 indicates that 4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid. Following Lipinski's Rule of Five, 4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid has 1 hydrogen bond donor(s) and 3 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-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid?
The CAS number of 4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid is 42574-70-9.
What is the molecular formula of 4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid?
The molecular formula of 4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid is C9H14N2O3.
What is the molecular weight of 4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid?
The molecular weight of 4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid is 198.10 g/mol.
Where can I buy 4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid?
You can request a quote for 4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic 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-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methyl-piperazin-1-yl)-4-oxo-but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.