TL;DR: 1-[2-Chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole (CAS 117857-45-1) is a chemical compound with molecular formula C10H6Cl3N3 and molecular weight 272.96274 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole
Also Known As: Loreclezole, Loreclezol, LORECLEZOLE HYDROCHLORIDE, R 72063, 1-[2-chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole
| Molecular Formula | C10H6Cl3N3 |
| Molecular Weight | 272.96274 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 30.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.96274 Da |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=CN2C=NC=N2)Cl |
| InChIKey | XGLHZTBDUXXHOM-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 1-[2-Chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.7 Ų, 1-[2-Chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-Chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-[2-Chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole is 117857-45-1.
The molecular formula of 1-[2-Chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole is C10H6Cl3N3.
The molecular weight of 1-[2-Chloro-2-(2,4-dichlorophenyl)ethenyl]-1,2,4-triazole is 272.96274 g/mol.
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