![3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine structure](/static/products/3301/330177-44-1.webp)
3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
TL;DR: 3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine (CAS 330177-44-1) is a chemical compound with molecular formula C12H14F3N3O2 and molecular weight 289.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
Also Known As: BAS 01063784, 3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine, BIM-0034358.P001, 1-[2-nitro-4-(trifluoromethyl)phenyl]-3-methylpiperazine, 3-Methyl-1-(2-nitro-4-trifluoromethyl-phenyl)-piperazine
| Molecular Formula | C12H14F3N3O2 |
|---|---|
| Molecular Weight | 289.10 g/mol |
| LogP | 2.4117 |
| Topological Polar Surface Area | 58.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.10382 |
| Heavy Atoms | 20 |
| Complexity | 519.1593 |
Chemical Identifiers
| CAS Number | 330177-44-1 |
|---|---|
| SMILES | CC1CN(CCN1)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine (CAS 330177-44-1), with molecular formula C12H14F3N3O2 and molecular weight 289.10 g/mol. IUPAC: 3-methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine.
Chemical Property Profile of 3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
Property Insights of 3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine
The XLogP value of 2.4117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine. With a topological polar surface area (TPSA) of 58.41 Ų, 3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine has 1 hydrogen bond donor(s) and 4 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 3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
The CAS number of 3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine is 330177-44-1.
What is the molecular formula of 3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
The molecular formula of 3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine is C12H14F3N3O2.
What is the molecular weight of 3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
The molecular weight of 3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine is 289.10 g/mol.
Where can I buy 3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
You can request a quote for 3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-[2-nitro-4-(trifluoromethyl)phenyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.