TL;DR: (2E)-1-(2,4-dichlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone (CAS 126961-73-7) is a chemical compound with molecular formula C10H6Cl2N4O2 and molecular weight 283.9868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E)-1-(2,4-dichlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone
Also Known As: BIM-0025147.P001, (2E)-1-(2,4-dichlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone, (2E)-1-(2,4-dichlorophenyl)-2-(hydroxyimino)-2-(1H-1,2,4-triazol-1-yl)ethanone, (E)-1-(2,4-dichlorophenyl)-2-(hydroxyimino)-2-(1H-1,2,4-triazol-1-yl)ethanone
| Molecular Formula | C10H6Cl2N4O2 |
| Molecular Weight | 283.9868 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 80.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.9868 Da |
| Heavy Atoms | 18 |
| Complexity | 353.0 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)C(=O)/C(=N\O)/N2C=NC=N2 |
| InChIKey | KLUHNSHFYYAYCM-XNTDXEJSSA-N |
The XLogP value of 3.5 indicates that (2E)-1-(2,4-dichlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-1-(2,4-dichlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone. Following Lipinski's Rule of Five, (2E)-1-(2,4-dichlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2E)-1-(2,4-dichlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone is 126961-73-7.
The molecular formula of (2E)-1-(2,4-dichlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone is C10H6Cl2N4O2.
The molecular weight of (2E)-1-(2,4-dichlorophenyl)-2-hydroxyimino-2-(1,2,4-triazol-1-yl)ethanone is 283.9868 g/mol.
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