4-Fluorophenyl 4-benzylpiperazinyl ketone
TL;DR: 4-Fluorophenyl 4-benzylpiperazinyl ketone (CAS 289475-97-4) is a chemical compound with molecular formula C18H19FN2O and molecular weight 298.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-benzylpiperazin-1-yl)-(4-fluorophenyl)methanone
Also Known As: 1-benzyl-4-(4-fluorobenzoyl)piperazine, 4-fluorophenyl 4-benzylpiperazinyl ketone, BAS 00185000, (4-benzylpiperazin-1-yl)(4-fluorophenyl)methanone, (4-benzylpiperazin-1-yl)-(4-fluorophenyl)methanone
| Molecular Formula | C18H19FN2O |
|---|---|
| Molecular Weight | 298.15 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.14813 |
| Heavy Atoms | 22 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 289475-97-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)F |
| InChIKey | JQRADOXEWUQNBB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluorophenyl 4-benzylpiperazinyl ketone (CAS 289475-97-4), with molecular formula C18H19FN2O and molecular weight 298.15 g/mol. IUPAC: (4-benzylpiperazin-1-yl)-(4-fluorophenyl)methanone.
Chemical Property Profile of 4-Fluorophenyl 4-benzylpiperazinyl ketone
Property Insights of 4-Fluorophenyl 4-benzylpiperazinyl ketone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluorophenyl 4-benzylpiperazinyl ketone. With a topological polar surface area (TPSA) of 23.6 Ų, 4-Fluorophenyl 4-benzylpiperazinyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorophenyl 4-benzylpiperazinyl ketone 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 4-Fluorophenyl 4-benzylpiperazinyl ketone?
The CAS number of 4-Fluorophenyl 4-benzylpiperazinyl ketone is 289475-97-4.
What is the molecular formula of 4-Fluorophenyl 4-benzylpiperazinyl ketone?
The molecular formula of 4-Fluorophenyl 4-benzylpiperazinyl ketone is C18H19FN2O.
What is the molecular weight of 4-Fluorophenyl 4-benzylpiperazinyl ketone?
The molecular weight of 4-Fluorophenyl 4-benzylpiperazinyl ketone is 298.15 g/mol.
Where can I buy 4-Fluorophenyl 4-benzylpiperazinyl ketone?
You can request a quote for 4-Fluorophenyl 4-benzylpiperazinyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenyl 4-benzylpiperazinyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenyl 4-benzylpiperazinyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.