![1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine structure](/static/products/3318/331855-52-8.webp)
1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
TL;DR: 1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CAS 331855-52-8) is a chemical compound with molecular formula C20H22F3N3O4 and molecular weight 425.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
Also Known As: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine, 1-{2-nitro-4,5-dimethoxybenzyl}-4-[3-(trifluoromethyl)phenyl]piperazine
| Molecular Formula | C20H22F3N3O4 |
|---|---|
| Molecular Weight | 425.16 g/mol |
| LogP | 3.953 |
| Topological Polar Surface Area | 68.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 425.15625 |
| Heavy Atoms | 30 |
| Complexity | 912.6551 |
Chemical Identifiers
| CAS Number | 331855-52-8 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-])OC |
Product Overview
1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine (CAS 331855-52-8), with molecular formula C20H22F3N3O4 and molecular weight 425.16 g/mol. IUPAC: 1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine.
Chemical Property Profile of 1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
Property Insights of 1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine
The XLogP value of 3.953 indicates that 1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine. Following Lipinski's Rule of Five, 1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)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-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The CAS number of 1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is 331855-52-8.
What is the molecular formula of 1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The molecular formula of 1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is C20H22F3N3O4.
What is the molecular weight of 1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
The molecular weight of 1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine is 425.16 g/mol.
Where can I buy 1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
You can request a quote for 1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(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 1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4,5-Dimethoxy-2-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.