![(E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid structure](/static/products/1164/1164534-01-3.webp)
(E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid
TL;DR: (E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid (CAS 1164534-01-3) is a chemical compound with molecular formula C12H14N2O6 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(3-carboxyprop-2-enoyl)piperazin-1-yl]-4-oxobut-2-enoic acid
Also Known As: TimTec1_002051, 4,4'-(1,4-piperazinediyl)bis(4-oxo-2-butenoic acid), 4-[4-(4-hydroxy-4-oxobut-2-enoyl)piperazin-1-yl]-4-oxobut-2-enoic acid, (2E)-4-{4-[(2E)-3-CARBOXYPROP-2-ENOYL]PIPERAZIN-1-YL}-4-OXOBUT-2-ENOIC ACID, (E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid
| Molecular Formula | C12H14N2O6 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.08517 |
| Heavy Atoms | 20 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 1164534-01-3 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C=CC(=O)O)C(=O)C=CC(=O)O |
| InChIKey | HOIDOFIZVWXXMG-UHFFFAOYSA-N |
Product Overview
(E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid (CAS 1164534-01-3), with molecular formula C12H14N2O6 and molecular weight 282.09 g/mol. IUPAC: 4-[4-(3-carboxyprop-2-enoyl)piperazin-1-yl]-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid
Property Insights of (E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid
The XLogP value of -1.5 indicates that (E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid. Following Lipinski's Rule of Five, (E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid has 2 hydrogen bond donor(s) and 6 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 (E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid?
The CAS number of (E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid is 1164534-01-3.
What is the molecular formula of (E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid?
The molecular formula of (E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid is C12H14N2O6.
What is the molecular weight of (E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid?
The molecular weight of (E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid is 282.09 g/mol.
Where can I buy (E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid?
You can request a quote for (E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-{4-[(E)-4-Hydroxy-4-oxo-2-butenoyl]-1-piperazinyl}-4-oxo-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.