2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)-
TL;DR: 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)- (CAS 76691-13-9) is a chemical compound with molecular formula C20H21FN2O and molecular weight 324.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)but-2-en-1-one
Also Known As: 1-(4-Fluorophenyl)-3-(4-phenyl-1-piperazinyl)-2-buten-1-one, 2-BUTEN-1-ONE, 1-(4-FLUOROPHENYL)-3-(4-PHENYL-1-PIPERAZINYL)-, (E)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)but-2-en-1-one, RefChem:1062551, BRN 4534101
| Molecular Formula | C20H21FN2O |
|---|---|
| Molecular Weight | 324.16 g/mol |
| LogP | 3.7344 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.1638 |
| Heavy Atoms | 24 |
| Complexity | 717.0639 |
Chemical Identifiers
| CAS Number | 76691-13-9 |
|---|---|
| SMILES | C/C(=C\C(=O)C1=CC=C(C=C1)F)/N2CCN(CC2)C3=CC=CC=C3 |
Product Overview
2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)- (CAS 76691-13-9), with molecular formula C20H21FN2O and molecular weight 324.16 g/mol. IUPAC: (E)-1-(4-fluorophenyl)-3-(4-phenylpiperazin-1-yl)but-2-en-1-one.
Chemical Property Profile of 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)-
Property Insights of 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)-
The XLogP value of 3.7344 indicates that 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)- has 0 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 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)-?
The CAS number of 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)- is 76691-13-9.
What is the molecular formula of 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)-?
The molecular formula of 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)- is C20H21FN2O.
What is the molecular weight of 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)-?
The molecular weight of 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)- is 324.16 g/mol.
Where can I buy 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)-?
You can request a quote for 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Buten-1-one, 1-(4-fluorophenyl)-3-(4-phenyl-1-piperazinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.