(E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid
TL;DR: (E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid (CAS 353276-06-9) is a chemical compound with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid
Also Known As: AI-981/36683009, (E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid, 4-(4-benzhydryl-1-piperazinyl)-4-oxo-2-butenoic acid, 4-(4-benzhydrylpiperazin-1-yl)-4-oxo-but-2-enoic Acid, (2E)-4-[4-(diphenylmethyl)piperazin-1-yl]-4-oxobut-2-enoic acid
| Molecular Formula | C21H22N2O3 |
|---|---|
| Molecular Weight | 350.16 g/mol |
| LogP | 2.561 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.16306 |
| Heavy Atoms | 26 |
| Complexity | 726.8579 |
Chemical Identifiers
| CAS Number | 353276-06-9 |
|---|---|
| SMILES | C1CN(CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)/C=C/C(=O)O |
Product Overview
(E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid (CAS 353276-06-9), with molecular formula C21H22N2O3 and molecular weight 350.16 g/mol. IUPAC: (E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid.
Chemical Property Profile of (E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid
Property Insights of (E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid
The XLogP value of 2.561 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, (E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-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 (E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid?
The CAS number of (E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid is 353276-06-9.
What is the molecular formula of (E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid?
The molecular formula of (E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid is C21H22N2O3.
What is the molecular weight of (E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid?
The molecular weight of (E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid is 350.16 g/mol.
Where can I buy (E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid?
You can request a quote for (E)-4-(4-benzhydrylpiperazin-1-yl)-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 (E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(4-benzhydrylpiperazin-1-yl)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.