N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline
TL;DR: N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline (CAS 591736-24-2) is a chemical compound with molecular formula C18H18F3N5O4 and molecular weight 425.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-2-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]aniline
Also Known As: N-methyl-2-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]aniline, N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline, N-methyl-2-nitro-5-{4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl}aniline
| Molecular Formula | C18H18F3N5O4 |
|---|---|
| Molecular Weight | 425.13 g/mol |
| LogP | 3.8901 |
| Topological Polar Surface Area | 104.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 425.1311 |
| Heavy Atoms | 30 |
| Complexity | 974.7796 |
Chemical Identifiers
| CAS Number | 591736-24-2 |
|---|---|
| SMILES | CNC1=C(C=CC(=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline (CAS 591736-24-2), with molecular formula C18H18F3N5O4 and molecular weight 425.13 g/mol. IUPAC: N-methyl-2-nitro-5-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]aniline.
Chemical Property Profile of N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline
Property Insights of N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline
The XLogP value of 3.8901 indicates that N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.79 Ų falls within the moderate polarity range, balancing permeability and solubility for N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline. Following Lipinski's Rule of Five, N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline has 1 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 N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline?
The CAS number of N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline is 591736-24-2.
What is the molecular formula of N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline?
The molecular formula of N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline is C18H18F3N5O4.
What is the molecular weight of N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline?
The molecular weight of N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline is 425.13 g/mol.
Where can I buy N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline?
You can request a quote for N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-2-nitro-5-(4-(2-nitro-4-(trifluoromethyl)phenyl)piperazin-1-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.