![N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline structure](/static/products/4000/400079-86-9.webp)
N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline
TL;DR: N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline (CAS 400079-86-9) is a chemical compound with molecular formula C19H13F6N5O3 and molecular weight 473.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline
Also Known As: N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline, N-{2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitrovinyl}-3-(trifluoromethyl)aniline
| Molecular Formula | C19H13F6N5O3 |
|---|---|
| Molecular Weight | 473.09 g/mol |
| LogP | 5.0007 |
| Topological Polar Surface Area | 95.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 473.09225 |
| Heavy Atoms | 33 |
| Complexity | 1185.8645 |
Chemical Identifiers
| CAS Number | 400079-86-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)N2C(=NN=C2C(F)(F)F)C(=CNC3=CC=CC(=C3)C(F)(F)F)[N+](=O)[O-] |
Product Overview
N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline (CAS 400079-86-9), with molecular formula C19H13F6N5O3 and molecular weight 473.09 g/mol. IUPAC: N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline.
Chemical Property Profile of N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline
Property Insights of N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline
The XLogP value of 5.0007 indicates that N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline. Following Lipinski's Rule of Five, N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline?
The CAS number of N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline is 400079-86-9.
What is the molecular formula of N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline?
The molecular formula of N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline is C19H13F6N5O3.
What is the molecular weight of N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline?
The molecular weight of N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline is 473.09 g/mol.
Where can I buy N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline?
You can request a quote for N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[2-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]-3-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.