![N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline structure](/static/products/3384/338402-50-9.webp)
N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline
TL;DR: N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline (CAS 338402-50-9) is a chemical compound with molecular formula C12H10F3N5O2 and molecular weight 313.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline
Also Known As: N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitro-ethenyl]aniline, N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline, N-{2-[4-methyl-5-(trifluoromethyl)-4H-1,2,4-triazol-3-yl]-2-nitrovinyl}aniline
| Molecular Formula | C12H10F3N5O2 |
|---|---|
| Molecular Weight | 313.08 g/mol |
| LogP | 2.5211 |
| Topological Polar Surface Area | 85.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.07867 |
| Heavy Atoms | 22 |
| Complexity | 709.29694 |
Chemical Identifiers
| CAS Number | 338402-50-9 |
|---|---|
| SMILES | CN1C(=NN=C1C(F)(F)F)C(=CNC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline (CAS 338402-50-9), with molecular formula C12H10F3N5O2 and molecular weight 313.08 g/mol. IUPAC: N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline.
Chemical Property Profile of N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline
Property Insights of N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline
The XLogP value of 2.5211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline. The TPSA of 85.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline. Following Lipinski's Rule of Five, N-[2-[4-methyl-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 N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline?
The CAS number of N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline is 338402-50-9.
What is the molecular formula of N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline?
The molecular formula of N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline is C12H10F3N5O2.
What is the molecular weight of N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline?
The molecular weight of N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline is 313.08 g/mol.
Where can I buy N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline?
You can request a quote for N-[2-[4-methyl-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 N-[2-[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]-2-nitroethenyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[2-[4-methyl-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.