![1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine structure](/static/products/5460/546079-35-0.webp)
1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine
TL;DR: 1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine (CAS 546079-35-0) is a chemical compound with molecular formula C18H12F8N2O and molecular weight 424.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentafluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
Also Known As: 1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine, (2,3,4,5,6-pentafluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone, (pentafluorophenyl){4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methanone, 1-(2,3,4,5,6-pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine, 2,3,4,5,6-pentafluorophenyl 4-[3-(trifluoromethyl)phenyl]piperazinyl ketone
| Molecular Formula | C18H12F8N2O |
|---|---|
| Molecular Weight | 424.08 g/mol |
| LogP | 4.3633 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 424.08218 |
| Heavy Atoms | 29 |
| Complexity | 922.6029 |
Chemical Identifiers
| CAS Number | 546079-35-0 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)C3=C(C(=C(C(=C3F)F)F)F)F |
Product Overview
1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine (CAS 546079-35-0), with molecular formula C18H12F8N2O and molecular weight 424.08 g/mol. IUPAC: (2,3,4,5,6-pentafluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
Chemical Property Profile of 1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine
Property Insights of 1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine
The XLogP value of 4.3633 indicates that 1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.55 Ų, 1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine 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 1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The CAS number of 1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine is 546079-35-0.
What is the molecular formula of 1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The molecular formula of 1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine is C18H12F8N2O.
What is the molecular weight of 1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
The molecular weight of 1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine is 424.08 g/mol.
Where can I buy 1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
You can request a quote for 1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(pentafluorobenzoyl)-4-[3-(trifluoromethyl)phenyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.