TL;DR: 1-Propanone, 1-cyclopentyl-2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)- (CAS 107658-87-7) is a chemical compound with molecular formula C16H17Cl2N3O2 and molecular weight 353.0698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyclopentyl-2-(2,4-dichlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-1-one
Also Known As: 1-Propanone, 1-cyclopentyl-2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)-, 3-trifluoromethanesulfonyloxybenzoic acid methyl ester, 1-cyclopentyl-2-(2,4-dichlorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-1-one, 1-Propanone,1-cyclopentyl-2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)-, 1-Cyclopentyl-2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propan-1-one
| Molecular Formula | C16H17Cl2N3O2 |
| Molecular Weight | 353.0698 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.0698 Da |
| Heavy Atoms | 23 |
| Complexity | 434.0 |
| SMILES | C1CCC(C1)C(=O)C(CN2C=NC=N2)(C3=C(C=C(C=C3)Cl)Cl)O |
| InChIKey | WCMIQMUWHYYLEZ-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 1-Propanone, 1-cyclopentyl-2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanone, 1-cyclopentyl-2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)-. Following Lipinski's Rule of Five, 1-Propanone, 1-cyclopentyl-2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Propanone, 1-cyclopentyl-2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)- is 107658-87-7.
The molecular formula of 1-Propanone, 1-cyclopentyl-2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)- is C16H17Cl2N3O2.
The molecular weight of 1-Propanone, 1-cyclopentyl-2-(2,4-dichlorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)- is 353.0698 g/mol.
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