![(2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid structure](/static/products/3537/353769-91-2.webp)
(2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid
TL;DR: (2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid (CAS 353769-91-2) is a chemical compound with molecular formula C9H15N3O3 and molecular weight 213.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid
Also Known As: (2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid, 2-butenoic acid, 4-[(4-methyl-1-piperazinyl)amino]-4-oxo-, (2E)-, 4-[(4-methyl-1-piperazinyl)amino]-4-oxo-2-butenoic acid, But-2-enoic acid, 4-(4-methylpiperazin-1-ylamino)-4-oxo-, (2E)-3-[N-(4-methylpiperazinyl)carbamoyl]prop-2-enoic acid
| Molecular Formula | C9H15N3O3 |
|---|---|
| Molecular Weight | 213.11 g/mol |
| LogP | -1.0942 |
| Topological Polar Surface Area | 72.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.11134 |
| Heavy Atoms | 15 |
| Complexity | 269.77612 |
Chemical Identifiers
| CAS Number | 353769-91-2 |
|---|---|
| SMILES | CN1CCN(CC1)NC(=O)/C=C/C(=O)O |
Product Overview
(2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid (CAS 353769-91-2), with molecular formula C9H15N3O3 and molecular weight 213.11 g/mol. IUPAC: (E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid.
Chemical Property Profile of (2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid
Property Insights of (2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid
The XLogP value of -1.0942 indicates that (2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid has 2 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 (2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid?
The CAS number of (2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid is 353769-91-2.
What is the molecular formula of (2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid?
The molecular formula of (2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid is C9H15N3O3.
What is the molecular weight of (2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid?
The molecular weight of (2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid is 213.11 g/mol.
Where can I buy (2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid?
You can request a quote for (2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-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 (2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-[(4-methylpiperazin-1-yl)amino]-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.