![5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one structure](/static/products/861/861206-77-1.png)
5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 861206-77-1) is a chemical compound with molecular formula C17H13F3N4O3 and molecular weight 378.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-[(4-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one
Also Known As: 5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one, 3-methyl-1-[(4-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one, 5-methyl-2-[(4-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one, C17H13F3N4O3
| Molecular Formula | C17H13F3N4O3 |
|---|---|
| Molecular Weight | 378.09 g/mol |
| LogP | 3.31772 |
| Topological Polar Surface Area | 82.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.09396 |
| Heavy Atoms | 27 |
| Complexity | 1052.521 |
Chemical Identifiers
| CAS Number | 861206-77-1 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=CC(=C2)C(F)(F)F)CC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 861206-77-1), with molecular formula C17H13F3N4O3 and molecular weight 378.09 g/mol. IUPAC: 5-methyl-2-[(4-nitrophenyl)methyl]-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-one.
Chemical Property Profile of 5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 3.31772 indicates that 5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one. Following Lipinski's Rule of Five, 5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one has 0 hydrogen bond donor(s) and 4 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 5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one is 861206-77-1.
What is the molecular formula of 5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one is C17H13F3N4O3.
What is the molecular weight of 5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one is 378.09 g/mol.
Where can I buy 5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-2-(4-nitrobenzyl)-4-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.