4-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone
TL;DR: 4-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone (CAS 432015-75-3) is a chemical compound with molecular formula C21H25FN2O and molecular weight 340.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
Also Known As: 4-(tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone, BAS 03559685, (4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone, 1-(4-tert-butylbenzoyl)-4-(2-fluorophenyl)piperazine, (4-tert-butylphenyl)[4-(2-fluorophenyl)piperazin-1-yl]methanone
| Molecular Formula | C21H25FN2O |
|---|---|
| Molecular Weight | 340.20 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.1951 |
| Heavy Atoms | 25 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 432015-75-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=CC=C3F |
| InChIKey | CCWMSLYDTLVXJF-UHFFFAOYSA-N |
Product Overview
4-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone (CAS 432015-75-3), with molecular formula C21H25FN2O and molecular weight 340.20 g/mol. IUPAC: (4-tert-butylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone.
Chemical Property Profile of 4-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone
Property Insights of 4-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone
The XLogP value of 4.7 indicates that 4-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 4-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl 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-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone?
The CAS number of 4-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone is 432015-75-3.
What is the molecular formula of 4-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone?
The molecular formula of 4-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone is C21H25FN2O.
What is the molecular weight of 4-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone?
The molecular weight of 4-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone is 340.20 g/mol.
Where can I buy 4-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone?
You can request a quote for 4-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 4-(Tert-butyl)phenyl 4-(2-fluorophenyl)piperazinyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.