TL;DR: 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)- (CAS 107658-88-8) is a chemical compound with molecular formula C14H16ClN3O2 and molecular weight 293.0931 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)hexan-3-one
Also Known As: 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)-, 2-(4-chlorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)hexan-3-one, 2-(4-Chlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)hexan-3-one, 2-(4-CHLOROPHENYL)-2-HYDROXY-1-(1H-1,2,4-TRIAZOL-1-YL)-3-HEXANONE, L-Alanine,L-tryptophyl-L-a-glutamyl-L-alanyl-L-alanyl-L-leucyl-L-alanyl-L-a-glutamyl-L-alanyl-L-leucyl-L-alanyl-L-a-glutamyl-L-alanyl-L-leucyl-L-alanyl-L-a-glutamyl-L-histidyl-L-leucyl-L-alanyl-L-a-glutamyl-L-alanyl-L-leucyl-L-alanyl-L-a-glutamyl-L-alanyl-L-leucyl-L-a-glutamyl-L-alanyl-L-leucyl-L-alanyl-
| Molecular Formula | C14H16ClN3O2 |
| Molecular Weight | 293.0931 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.0931 Da |
| Heavy Atoms | 20 |
| Complexity | 334.0 |
| SMILES | CCCC(=O)C(CN1C=NC=N1)(C2=CC=C(C=C2)Cl)O |
| InChIKey | WITDAZBALNLNNJ-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)-. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)-. Following Lipinski's Rule of Five, 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-1-(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 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)- is 107658-88-8.
The molecular formula of 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)- is C14H16ClN3O2.
The molecular weight of 3-Hexanone, 2-(4-chlorophenyl)-2-hydroxy-1-(1H-1,2,4-triazol-1-yl)- is 293.0931 g/mol.
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