(2E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
TL;DR: (2E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one (CAS 768335-85-9) is a chemical compound with molecular formula C20H22N2O and molecular weight 306.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
Also Known As: TimTec1_002005, 1-benzyl-4-cinnamoylpiperazine, 4-Benzylpiperazino[(E)-styryl] ketone, J3.148.068J, AB01208898-03
| Molecular Formula | C20H22N2O |
|---|---|
| Molecular Weight | 306.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.17322 |
| Heavy Atoms | 23 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 768335-85-9 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)/C=C/C3=CC=CC=C3 |
| InChIKey | GWHWSKGIRYVYDA-VAWYXSNFSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one (CAS 768335-85-9), with molecular formula C20H22N2O and molecular weight 306.17 g/mol. IUPAC: (E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one.
Chemical Property Profile of (2E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
Property Insights of (2E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
The XLogP value of 3.1 indicates that (2E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, (2E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one has 0 hydrogen bond donor(s) and 2 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)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one?
The CAS number of (2E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one is 768335-85-9.
What is the molecular formula of (2E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one?
The molecular formula of (2E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one is C20H22N2O.
What is the molecular weight of (2E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one?
The molecular weight of (2E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one is 306.17 g/mol.
Where can I buy (2E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one?
You can request a quote for (2E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (2E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.