![Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone structure](/static/products/4780/478045-52-2.webp)
Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone
TL;DR: Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone (CAS 478045-52-2) is a chemical compound with molecular formula C18H17F3N2O3S and molecular weight 398.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
Also Known As: Bionet1_003607, 4P-551S, 1-benzoyl-4-[2-(trifluoromethyl)benzenesulfonyl]piperazine, phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone, phenyl-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone
| Molecular Formula | C18H17F3N2O3S |
|---|---|
| Molecular Weight | 398.09 g/mol |
| LogP | 2.8521 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 398.0912 |
| Heavy Atoms | 27 |
| Complexity | 922.3681 |
Chemical Identifiers
| CAS Number | 478045-52-2 |
|---|---|
| SMILES | C1CN(CCN1C(=O)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F |
Product Overview
Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone (CAS 478045-52-2), with molecular formula C18H17F3N2O3S and molecular weight 398.09 g/mol. IUPAC: phenyl-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone.
Chemical Property Profile of Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone
Property Insights of Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone
The XLogP value of 2.8521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone. With a topological polar surface area (TPSA) of 57.69 Ų, Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone 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 Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone?
The CAS number of Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone is 478045-52-2.
What is the molecular formula of Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone?
The molecular formula of Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone is C18H17F3N2O3S.
What is the molecular weight of Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone?
The molecular weight of Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone is 398.09 g/mol.
Where can I buy Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone?
You can request a quote for Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone?
Yes, KEHONG BIO provides custom synthesis services for Phenyl(4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazino)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.