TL;DR: 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-((4-chloro-3-methylphenoxy)methyl)-5-(2,4-dichlorophenyl)- (CAS 141079-20-1) is a chemical compound with molecular formula C22H14Cl4FN3O and molecular weight 494.9875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-chloro-4-fluorophenyl)-3-[(4-chloro-3-methylphenoxy)methyl]-5-(2,4-dichlorophenyl)-1,2,4-triazole
Also Known As: 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-((4-chloro-3-methylphenoxy)methyl)-5-(2,4-dichlorophenyl)-, 4-(3-chloro-4-fluorophenyl)-3-[(4-chloro-3-methylphenoxy)methyl]-5-(2,4-dichlorophenyl)-1,2,4-triazole, 4-(3-Chloro-4-fluorophenyl)-3-[(4-chloro-3-methylphenoxy)methyl]-5-(2,4-dichlorophenyl)-4H-1,2,4-triazole, BRN 5463091
| Molecular Formula | C22H14Cl4FN3O |
| Molecular Weight | 494.9875 g/mol |
| XLogP | 7.2 |
| Topological Polar Surface Area (TPSA) | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 494.9875 Da |
| Heavy Atoms | 31 |
| Complexity | 593.0 |
| SMILES | CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CC(=C(C=C3)F)Cl)C4=C(C=C(C=C4)Cl)Cl)Cl |
| InChIKey | IHVIAKLGAOLZSO-UHFFFAOYSA-N |
The XLogP value of 7.2 indicates that 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-((4-chloro-3-methylphenoxy)methyl)-5-(2,4-dichlorophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.9 Ų, 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-((4-chloro-3-methylphenoxy)methyl)-5-(2,4-dichlorophenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-((4-chloro-3-methylphenoxy)methyl)-5-(2,4-dichlorophenyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-((4-chloro-3-methylphenoxy)methyl)-5-(2,4-dichlorophenyl)- is 141079-20-1.
The molecular formula of 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-((4-chloro-3-methylphenoxy)methyl)-5-(2,4-dichlorophenyl)- is C22H14Cl4FN3O.
The molecular weight of 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-((4-chloro-3-methylphenoxy)methyl)-5-(2,4-dichlorophenyl)- is 494.9875 g/mol.
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