4-Oxo-4-(4-benzylpiperazinyl)but-2-enoic acid
TL;DR: 4-Oxo-4-(4-benzylpiperazinyl)but-2-enoic acid (CAS 304684-78-4) is a chemical compound with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-benzylpiperazin-1-yl)-4-oxobut-2-enoic acid
Also Known As: 4-OXO-4-(4-BENZYLPIPERAZINYL)BUT-2-ENOIC ACID, 4-(4-benzylpiperazin-1-yl)-4-oxo-but-2-enoic Acid, 4-(4-benzylpiperazin-1-yl)-4-oxobut-2-enoic acid, (E)-4-(4-benzylpiperazin-1-yl)-4-oxobut-2-enoic acid, (2E)-4-(4-benzylpiperazin-1-yl)-4-oxobut-2-enoic acid
| Molecular Formula | C15H18N2O3 |
|---|---|
| Molecular Weight | 274.13 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.13174 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 304684-78-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C=CC(=O)O |
| InChIKey | KWZMBXGHLUWDGJ-UHFFFAOYSA-N |
Product Overview
4-Oxo-4-(4-benzylpiperazinyl)but-2-enoic acid (CAS 304684-78-4), with molecular formula C15H18N2O3 and molecular weight 274.13 g/mol. IUPAC: 4-(4-benzylpiperazin-1-yl)-4-oxobut-2-enoic acid.
Chemical Property Profile of 4-Oxo-4-(4-benzylpiperazinyl)but-2-enoic acid
Property Insights of 4-Oxo-4-(4-benzylpiperazinyl)but-2-enoic acid
The XLogP value of -1.5 indicates that 4-Oxo-4-(4-benzylpiperazinyl)but-2-enoic 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 4-Oxo-4-(4-benzylpiperazinyl)but-2-enoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-(4-benzylpiperazinyl)but-2-enoic acid has 1 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 4-Oxo-4-(4-benzylpiperazinyl)but-2-enoic acid?
The CAS number of 4-Oxo-4-(4-benzylpiperazinyl)but-2-enoic acid is 304684-78-4.
What is the molecular formula of 4-Oxo-4-(4-benzylpiperazinyl)but-2-enoic acid?
The molecular formula of 4-Oxo-4-(4-benzylpiperazinyl)but-2-enoic acid is C15H18N2O3.
What is the molecular weight of 4-Oxo-4-(4-benzylpiperazinyl)but-2-enoic acid?
The molecular weight of 4-Oxo-4-(4-benzylpiperazinyl)but-2-enoic acid is 274.13 g/mol.
Where can I buy 4-Oxo-4-(4-benzylpiperazinyl)but-2-enoic acid?
You can request a quote for 4-Oxo-4-(4-benzylpiperazinyl)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-Oxo-4-(4-benzylpiperazinyl)but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-(4-benzylpiperazinyl)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.