1-Methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine
TL;DR: 1-Methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine (CAS 324778-95-2) is a chemical compound with molecular formula C12H14F3N3O4S and molecular weight 353.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazine
Also Known As: 1-METHYL-4-(2-NITRO-4-TRIFLUOROMETHANESULFONYLPHENYL)PIPERAZINE, 1-methyl-4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazine, 1-methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine, 1-methyl-4-{2-nitro-4-[(trifluoromethyl)sulfonyl]phenyl}piperazine, 4-(4-methyl-1-piperazinyl)-3-nitrophenyl(oxo)(trifluoromethyl)-lambda-sulfaniumolate
| Molecular Formula | C12H14F3N3O4S |
|---|---|
| Molecular Weight | 353.07 g/mol |
| LogP | 1.6401 |
| Topological Polar Surface Area | 83.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.0657 |
| Heavy Atoms | 23 |
| Complexity | 712.75134 |
Chemical Identifiers
| CAS Number | 324778-95-2 |
|---|---|
| SMILES | CN1CCN(CC1)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-] |
Product Overview
1-Methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine (CAS 324778-95-2), with molecular formula C12H14F3N3O4S and molecular weight 353.07 g/mol. IUPAC: 1-methyl-4-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]piperazine.
Chemical Property Profile of 1-Methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine
Property Insights of 1-Methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine
The XLogP value of 1.6401 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine. The TPSA of 83.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine. Following Lipinski's Rule of Five, 1-Methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine has 0 hydrogen bond donor(s) and 6 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-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine?
The CAS number of 1-Methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine is 324778-95-2.
What is the molecular formula of 1-Methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine?
The molecular formula of 1-Methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine is C12H14F3N3O4S.
What is the molecular weight of 1-Methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine?
The molecular weight of 1-Methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine is 353.07 g/mol.
Where can I buy 1-Methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine?
You can request a quote for 1-Methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)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-Methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-(2-nitro-4-((trifluoromethyl)sulfonyl)phenyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.