![1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine structure](/static/products/4288/428835-35-2.webp)
1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine
TL;DR: 1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine (CAS 428835-35-2) is a chemical compound with molecular formula C14H19F3N2O2S and molecular weight 336.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
Also Known As: 1-(ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine, 1-ethylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
| Molecular Formula | C14H19F3N2O2S |
|---|---|
| Molecular Weight | 336.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.11194 |
| Heavy Atoms | 22 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 428835-35-2 |
|---|---|
| SMILES | CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2C(F)(F)F |
| InChIKey | IWSSDPYENHXAGB-UHFFFAOYSA-N |
Product Overview
1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine (CAS 428835-35-2), with molecular formula C14H19F3N2O2S and molecular weight 336.11 g/mol. IUPAC: 1-ethylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine.
Chemical Property Profile of 1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine
Property Insights of 1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine. With a topological polar surface area (TPSA) of 49.0 Ų, 1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine has 0 hydrogen bond donor(s) and 7 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-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine?
The CAS number of 1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine is 428835-35-2.
What is the molecular formula of 1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine?
The molecular formula of 1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine is C14H19F3N2O2S.
What is the molecular weight of 1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine?
The molecular weight of 1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine is 336.11 g/mol.
Where can I buy 1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine?
You can request a quote for 1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(Ethylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.