TL;DR: 2-(1H-Benzo[d][1,2,3]triazol-1-yl)-1-(p-tolyl)etha (CAS 131164-26-6) is a chemical compound with molecular formula C15H15N3O and molecular weight 253.1215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(benzotriazol-1-yl)-1-(4-methylphenyl)ethanol
Also Known As: 2-(1H-Benzo[d][1,2,3]triazol-1-yl)-1-(p-tolyl)etha, 2-benzotriazol-1-yl-1-(4-methylphenyl)ethanol, 2-(benzotriazol-1-yl)-1-(4-methylphenyl)ethanol
| Molecular Formula | C15H15N3O |
| Molecular Weight | 253.1215 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 50.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.1215 Da |
| Heavy Atoms | 19 |
| Complexity | 291.0 |
| SMILES | CC1=CC=C(C=C1)C(CN2C3=CC=CC=C3N=N2)O |
| InChIKey | UVPDEVLRYQUAHY-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-Benzo[d][1,2,3]triazol-1-yl)-1-(p-tolyl)etha. With a topological polar surface area (TPSA) of 50.9 Ų, 2-(1H-Benzo[d][1,2,3]triazol-1-yl)-1-(p-tolyl)etha exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-Benzo[d][1,2,3]triazol-1-yl)-1-(p-tolyl)etha 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 2-(1H-Benzo[d][1,2,3]triazol-1-yl)-1-(p-tolyl)etha is 131164-26-6.
The molecular formula of 2-(1H-Benzo[d][1,2,3]triazol-1-yl)-1-(p-tolyl)etha is C15H15N3O.
The molecular weight of 2-(1H-Benzo[d][1,2,3]triazol-1-yl)-1-(p-tolyl)etha is 253.1215 g/mol.
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