TL;DR: 1-phenyl-3-[(5-{[3-(trifluoromethyl)phenoxy]methyl}-1H-1,2,4-triazol-3-yl)methoxy]-1H-1,2,4-triazole (CAS 338395-55-4) is a chemical compound with molecular formula C19H15F3N6O2 and molecular weight 416.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-3-[[3-[[3-(trifluoromethyl)phenoxy]methyl]-1H-1,2,4-triazol-5-yl]methoxy]-1,2,4-triazole
Also Known As: 1-phenyl-3-[(5-{[3-(trifluoromethyl)phenoxy]methyl}-1H-1,2,4-triazol-3-yl)methoxy]-1H-1,2,4-triazole, 2F-022, 1-phenyl-3-[[3-[[3-(trifluoromethyl)phenoxy]methyl]-1H-1,2,4-triazol-5-yl]methoxy]-1,2,4-triazole, 1-phenyl-3-({5-[3-(trifluoromethyl)phenoxymethyl]-1H-1,2,4-triazol-3-yl}methoxy)-1H-1,2,4-triazole, 1-phenyl-3-[[5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-1,2,4-triazol-3-yl]methoxy]-1,2,4-triazole
| Molecular Formula | C19H15F3N6O2 |
| Molecular Weight | 416.12085 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.12085 Da |
| Heavy Atoms | 30 |
| Complexity | 537.0 |
| SMILES | C1=CC=C(C=C1)N2C=NC(=N2)OCC3=NC(=NN3)COC4=CC=CC(=C4)C(F)(F)F |
| InChIKey | PJILWLHOLGILES-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 1-phenyl-3-[(5-{[3-(trifluoromethyl)phenoxy]methyl}-1H-1,2,4-triazol-3-yl)methoxy]-1H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-phenyl-3-[(5-{[3-(trifluoromethyl)phenoxy]methyl}-1H-1,2,4-triazol-3-yl)methoxy]-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 1-phenyl-3-[(5-{[3-(trifluoromethyl)phenoxy]methyl}-1H-1,2,4-triazol-3-yl)methoxy]-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-phenyl-3-[(5-{[3-(trifluoromethyl)phenoxy]methyl}-1H-1,2,4-triazol-3-yl)methoxy]-1H-1,2,4-triazole is 338395-55-4.
The molecular formula of 1-phenyl-3-[(5-{[3-(trifluoromethyl)phenoxy]methyl}-1H-1,2,4-triazol-3-yl)methoxy]-1H-1,2,4-triazole is C19H15F3N6O2.
The molecular weight of 1-phenyl-3-[(5-{[3-(trifluoromethyl)phenoxy]methyl}-1H-1,2,4-triazol-3-yl)methoxy]-1H-1,2,4-triazole is 416.12085 g/mol.
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