![4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline structure](/static/products/4000/400079-87-0.webp)
4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline
TL;DR: 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline (CAS 400079-87-0) is a chemical compound with molecular formula C19H16F3N5O2 and molecular weight 403.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline
Also Known As: 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline, 4-methyl-N-{2-[4-(4-methylphenyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitrovinyl}aniline
| Molecular Formula | C19H16F3N5O2 |
|---|---|
| Molecular Weight | 403.13 g/mol |
| LogP | 4.59014 |
| Topological Polar Surface Area | 85.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.1256 |
| Heavy Atoms | 29 |
| Complexity | 1054.9438 |
Chemical Identifiers
| CAS Number | 400079-87-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC=C(C2=NN=C(N2C3=CC=C(C=C3)C)C(F)(F)F)[N+](=O)[O-] |
Product Overview
4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline (CAS 400079-87-0), with molecular formula C19H16F3N5O2 and molecular weight 403.13 g/mol. IUPAC: 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline.
Chemical Property Profile of 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline
Property Insights of 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline
The XLogP value of 4.59014 indicates that 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline. Following Lipinski's Rule of Five, 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline has 1 hydrogen bond donor(s) and 5 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 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline?
The CAS number of 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline is 400079-87-0.
What is the molecular formula of 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline?
The molecular formula of 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline is C19H16F3N5O2.
What is the molecular weight of 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline?
The molecular weight of 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline is 403.13 g/mol.
Where can I buy 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline?
You can request a quote for 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-methyl-N-[2-[4-(4-methylphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.