TL;DR: 2-methyl-1-[4-(propan-2-yl)phenyl]-2-(1H-1,2,4-triazol-1-yl)propan-1-one (CAS 1020252-48-5) is a chemical compound with molecular formula C15H19N3O and molecular weight 257.1528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-1-(4-propan-2-ylphenyl)-2-(1,2,4-triazol-1-yl)propan-1-one
Also Known As: 2-methyl-1-[4-(propan-2-yl)phenyl]-2-(1H-1,2,4-triazol-1-yl)propan-1-one, 1-(4-isopropylphenyl)-2-methyl-2-(1H-1,2,4-triazol-1-yl)-1-propanone, 2-methyl-1-(4-propan-2-ylphenyl)-2-(1,2,4-triazol-1-yl)propan-1-one, 1-(4-ISOPROPYLPHENYL)-2-METHYL-2-(1,2,4-TRIAZOL-1-YL)PROPAN-1-ONE, 2-METHYL-1-(4-(ISOPROPYL)PHENYL)-2-(1,2,4-TRIAZOLYL)PROPAN-1-ONE
| Molecular Formula | C15H19N3O |
| Molecular Weight | 257.1528 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.1528 Da |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)C(C)(C)N2C=NC=N2 |
| InChIKey | VTTSLYHYTJVHOL-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2-methyl-1-[4-(propan-2-yl)phenyl]-2-(1H-1,2,4-triazol-1-yl)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.8 Ų, 2-methyl-1-[4-(propan-2-yl)phenyl]-2-(1H-1,2,4-triazol-1-yl)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-1-[4-(propan-2-yl)phenyl]-2-(1H-1,2,4-triazol-1-yl)propan-1-one has 0 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 2-methyl-1-[4-(propan-2-yl)phenyl]-2-(1H-1,2,4-triazol-1-yl)propan-1-one is 1020252-48-5.
The molecular formula of 2-methyl-1-[4-(propan-2-yl)phenyl]-2-(1H-1,2,4-triazol-1-yl)propan-1-one is C15H19N3O.
The molecular weight of 2-methyl-1-[4-(propan-2-yl)phenyl]-2-(1H-1,2,4-triazol-1-yl)propan-1-one is 257.1528 g/mol.
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