TL;DR: 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)- (CAS 107659-21-2) is a chemical compound with molecular formula C16H18Cl2N2O2 and molecular weight 340.07452 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,4-dichlorophenyl)-2-hydroxy-1-imidazol-1-ylheptan-3-one
Also Known As: 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)-, 2-(2,4-dichlorophenyl)-2-hydroxy-1-imidazol-1-ylheptan-3-one, 2-(2,4-dichlorophenyl)-2-hydroxy-1-imidazol-1-yl-heptan-3-one, 2-(2,4-Dichlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)heptan-3-one
| Molecular Formula | C16H18Cl2N2O2 |
| Molecular Weight | 340.07452 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.07452 Da |
| Heavy Atoms | 22 |
| Complexity | 383.0 |
| SMILES | CCCCC(=O)C(CN1C=CN=C1)(C2=C(C=C(C=C2)Cl)Cl)O |
| InChIKey | BDFHLRURZGTVEZ-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.1 Ų, 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)- is 107659-21-2.
The molecular formula of 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)- is C16H18Cl2N2O2.
The molecular weight of 3-Heptanone, 2-(2,4-dichlorophenyl)-2-hydroxy-1-(1H-imidazol-1-yl)- is 340.07452 g/mol.
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