![3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one structure](/static/products/7669/76691-03-7.webp)
3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one
TL;DR: 3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one (CAS 76691-03-7) 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.
3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one
Also Known As: 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one, 3-(4-(4-Fluorophenyl)-1-piperazinyl)-1-phenyl-2-buten-1-one, 2-Buten-1-one, 3-(4-(4-fluorophenyl)-1-piperazinyl)-1-phenyl-
| Molecular Formula | C20H21FN2O |
|---|---|
| Molecular Weight | 324.16 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.1638 |
| Heavy Atoms | 24 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 76691-03-7 |
|---|---|
| SMILES | CC(=CC(=O)C1=CC=CC=C1)N2CCN(CC2)C3=CC=C(C=C3)F |
| InChIKey | BFGZDIHKMAAXSN-UHFFFAOYSA-N |
Product Overview
3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one (CAS 76691-03-7), with molecular formula C20H21FN2O and molecular weight 324.16 g/mol. IUPAC: 3-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one.
Chemical Property Profile of 3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one
Property Insights of 3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one
The XLogP value of 4.0 indicates that 3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-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, 3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one has 0 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 3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one?
The CAS number of 3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one is 76691-03-7.
What is the molecular formula of 3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one?
The molecular formula of 3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one is C20H21FN2O.
What is the molecular weight of 3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one?
The molecular weight of 3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one is 324.16 g/mol.
Where can I buy 3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one?
You can request a quote for 3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-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 3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylbut-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.