TL;DR: 1-Propanone, 1,2-bis(4-chlorophenyl)-2-hydroxy-3-(4H-1,2,4-triazol-4-yl)- (CAS 107659-30-3) is a chemical compound with molecular formula C17H13Cl2N3O2 and molecular weight 361.03848 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2-bis(4-chlorophenyl)-2-hydroxy-3-(1,2,4-triazol-4-yl)propan-1-one
Also Known As: 1-Propanone, 1,2-bis(4-chlorophenyl)-2-hydroxy-3-(4H-1,2,4-triazol-4-yl)-, 1,2-bis(4-chlorophenyl)-2-hydroxy-3-(1,2,4-triazol-4-yl)propan-1-one, 1,2-Bis(4-chlorophenyl)-2-hydroxy-3-(4H-1,2,4-triazol-4-yl)propan-1-one
| Molecular Formula | C17H13Cl2N3O2 |
| Molecular Weight | 361.03848 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.03848 Da |
| Heavy Atoms | 24 |
| Complexity | 432.0 |
| SMILES | C1=CC(=CC=C1C(=O)C(CN2C=NN=C2)(C3=CC=C(C=C3)Cl)O)Cl |
| InChIKey | SORUAGPBBWGLNK-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanone, 1,2-bis(4-chlorophenyl)-2-hydroxy-3-(4H-1,2,4-triazol-4-yl)-. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanone, 1,2-bis(4-chlorophenyl)-2-hydroxy-3-(4H-1,2,4-triazol-4-yl)-. Following Lipinski's Rule of Five, 1-Propanone, 1,2-bis(4-chlorophenyl)-2-hydroxy-3-(4H-1,2,4-triazol-4-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, 1,2-bis(4-chlorophenyl)-2-hydroxy-3-(4H-1,2,4-triazol-4-yl)- is 107659-30-3.
The molecular formula of 1-Propanone, 1,2-bis(4-chlorophenyl)-2-hydroxy-3-(4H-1,2,4-triazol-4-yl)- is C17H13Cl2N3O2.
The molecular weight of 1-Propanone, 1,2-bis(4-chlorophenyl)-2-hydroxy-3-(4H-1,2,4-triazol-4-yl)- is 361.03848 g/mol.
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