TL;DR: 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-((4-chloro-3-methylphenoxy)methyl)-5-(4-fluorophenyl)- (CAS 141079-19-8) is a chemical compound with molecular formula C22H15Cl2F2N3O and molecular weight 445.05603 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-(4-fluorophenyl)-1,2,4-triazole
Also Known As: 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-((4-chloro-3-methylphenoxy)methyl)-5-(4-fluorophenyl)-, 4-(3-chloro-4-fluorophenyl)-3-[(4-chloro-3-methylphenoxy)methyl]-5-(4-fluorophenyl)-1,2,4-triazole, 4-(3-Chloro-4-fluorophenyl)-3-[(4-chloro-3-methylphenoxy)methyl]-5-(4-fluorophenyl)-4H-1,2,4-triazole, BRN 5461029
| Molecular Formula | C22H15Cl2F2N3O |
| Molecular Weight | 445.05603 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 39.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.05603 Da |
| Heavy Atoms | 30 |
| Complexity | 554.0 |
| SMILES | CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CC(=C(C=C3)F)Cl)C4=CC=C(C=C4)F)Cl |
| InChIKey | FJQBBZKCDUPRMI-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-((4-chloro-3-methylphenoxy)methyl)-5-(4-fluorophenyl)- 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-(4-fluorophenyl)- 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-(4-fluorophenyl)- has 0 hydrogen bond donor(s) and 5 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-(4-fluorophenyl)- is 141079-19-8.
The molecular formula of 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-((4-chloro-3-methylphenoxy)methyl)-5-(4-fluorophenyl)- is C22H15Cl2F2N3O.
The molecular weight of 4H-1,2,4-Triazole, 4-(3-chloro-4-fluorophenyl)-3-((4-chloro-3-methylphenoxy)methyl)-5-(4-fluorophenyl)- is 445.05603 g/mol.
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