![1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine structure](/static/products/6136/613658-02-9.webp)
1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine
TL;DR: 1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine (CAS 613658-02-9) is a chemical compound with molecular formula C12H15F3N2O2S and molecular weight 308.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine
Also Known As: 1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine, 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine, AS-871/41585893, 1-methyl-4-{[2-(trifluoromethyl)phenyl]sulfonyl}piperazine, 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazine
| Molecular Formula | C12H15F3N2O2S |
|---|---|
| Molecular Weight | 308.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 49.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.08063 |
| Heavy Atoms | 20 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 613658-02-9 |
|---|---|
| SMILES | CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F |
| InChIKey | UBONSUREFARGMA-UHFFFAOYSA-N |
Product Overview
1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine (CAS 613658-02-9), with molecular formula C12H15F3N2O2S and molecular weight 308.08 g/mol. IUPAC: 1-methyl-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazine.
Chemical Property Profile of 1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine
Property Insights of 1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine. With a topological polar surface area (TPSA) of 49.0 Ų, 1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]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-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine?
The CAS number of 1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine is 613658-02-9.
What is the molecular formula of 1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine?
The molecular formula of 1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine is C12H15F3N2O2S.
What is the molecular weight of 1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine?
The molecular weight of 1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine is 308.08 g/mol.
Where can I buy 1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine?
You can request a quote for 1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-[[2-(trifluoromethyl)phenyl]sulfonyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.