4-(4-Ethyl-1-piperazinyl)-4-oxo-2-butenoic acid
TL;DR: 4-(4-Ethyl-1-piperazinyl)-4-oxo-2-butenoic acid (CAS 1164488-89-4) is a chemical compound with molecular formula C10H16N2O3 and molecular weight 212.11609 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-4-(4-ethylpiperazin-1-yl)-4-oxobut-2-enoic acid
Also Known As: (Z)-4-(4-ethylpiperazin-1-yl)-4-oxobut-2-enoic acid, 4-(4-ethyl-1-piperazinyl)-4-oxo-2-butenoic acid, (2Z)-4-(4-ethylpiperazin-1-yl)-4-oxobut-2-enoicacid, AF-399/15286623, (Z)-4-(4-ethylpiperazin-4-ium-1-yl)-4-oxobut-2-enoate
Technical Specifications
| Molecular Formula | C10H16N2O3 |
| Molecular Weight | 212.11609 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.11609 Da |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
| SMILES | CCN1CCN(CC1)C(=O)/C=C\C(=O)O |
| InChIKey | RZWNXLICCRVKFW-ARJAWSKDSA-N |
Chemical Property Profile of 4-(4-Ethyl-1-piperazinyl)-4-oxo-2-butenoic acid
Property Insights of 4-(4-Ethyl-1-piperazinyl)-4-oxo-2-butenoic acid
The XLogP value of -2.0 indicates that 4-(4-Ethyl-1-piperazinyl)-4-oxo-2-butenoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Ethyl-1-piperazinyl)-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, 4-(4-Ethyl-1-piperazinyl)-4-oxo-2-butenoic 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
What is the CAS number of 4-(4-Ethyl-1-piperazinyl)-4-oxo-2-butenoic acid?
The CAS number of 4-(4-Ethyl-1-piperazinyl)-4-oxo-2-butenoic acid is 1164488-89-4.
What is the molecular formula of 4-(4-Ethyl-1-piperazinyl)-4-oxo-2-butenoic acid?
The molecular formula of 4-(4-Ethyl-1-piperazinyl)-4-oxo-2-butenoic acid is C10H16N2O3.
What is the molecular weight of 4-(4-Ethyl-1-piperazinyl)-4-oxo-2-butenoic acid?
The molecular weight of 4-(4-Ethyl-1-piperazinyl)-4-oxo-2-butenoic acid is 212.11609 g/mol.
Where can I buy 4-(4-Ethyl-1-piperazinyl)-4-oxo-2-butenoic acid?
You can request a quote for 4-(4-Ethyl-1-piperazinyl)-4-oxo-2-butenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Ethyl-1-piperazinyl)-4-oxo-2-butenoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4-Ethyl-1-piperazinyl)-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.