![1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine structure](/static/products/4253/425397-67-7.webp)
1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine
TL;DR: 1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine (CAS 425397-67-7) is a chemical compound with molecular formula C13H17F3N2O2S and molecular weight 322.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
Also Known As: BAS 03050325, BIM-0009490.P001, 1-(methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine, AB00102154-01, 1-methylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine
| Molecular Formula | C13H17F3N2O2S |
|---|---|
| Molecular Weight | 322.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.09628 |
| Heavy Atoms | 21 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 425397-67-7 |
|---|---|
| SMILES | CS(=O)(=O)N1CCN(CC1)CC2=CC=CC=C2C(F)(F)F |
| InChIKey | XLFFPYZXEHNQMD-UHFFFAOYSA-N |
Product Overview
1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine (CAS 425397-67-7), with molecular formula C13H17F3N2O2S and molecular weight 322.10 g/mol. IUPAC: 1-methylsulfonyl-4-[[2-(trifluoromethyl)phenyl]methyl]piperazine.
Chemical Property Profile of 1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine
Property Insights of 1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine. With a topological polar surface area (TPSA) of 49.0 Ų, 1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Methylsulfonyl)-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-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine?
The CAS number of 1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine is 425397-67-7.
What is the molecular formula of 1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine?
The molecular formula of 1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine is C13H17F3N2O2S.
What is the molecular weight of 1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine?
The molecular weight of 1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine is 322.10 g/mol.
Where can I buy 1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine?
You can request a quote for 1-(Methylsulfonyl)-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-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(Methylsulfonyl)-4-[2-(trifluoromethyl)benzyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.