TL;DR: 1-[2-(2H-1,2,3-Benzotriazol-2-yl)ethyl]-1H-1,2,3-benzotriazole (CAS 116477-11-3) is a chemical compound with molecular formula C14H12N6 and molecular weight 264.11234 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(benzotriazol-2-yl)ethyl]benzotriazole
Also Known As: 1-[2-(2H-1,2,3-Benzotriazol-2-yl)ethyl]-1H-1,2,3-benzotriazole, 1-[2-(benzotriazol-2-yl)ethyl]benzotriazole, 1-(2-benzotriazol-2-ylethyl)benzotriazole, J2.690.908B, 2-[2-(1H-Benzotriazole-1-yl)ethyl]-2H-benzotriazole
| Molecular Formula | C14H12N6 |
| Molecular Weight | 264.11234 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 61.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 264.11234 Da |
| Heavy Atoms | 20 |
| Complexity | 324.0 |
| SMILES | C1=CC=C2C(=C1)N=NN2CCN3N=C4C=CC=CC4=N3 |
| InChIKey | JSPKDGODLNHTMD-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(2H-1,2,3-Benzotriazol-2-yl)ethyl]-1H-1,2,3-benzotriazole. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(2H-1,2,3-Benzotriazol-2-yl)ethyl]-1H-1,2,3-benzotriazole. Following Lipinski's Rule of Five, 1-[2-(2H-1,2,3-Benzotriazol-2-yl)ethyl]-1H-1,2,3-benzotriazole has 0 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-[2-(2H-1,2,3-Benzotriazol-2-yl)ethyl]-1H-1,2,3-benzotriazole is 116477-11-3.
The molecular formula of 1-[2-(2H-1,2,3-Benzotriazol-2-yl)ethyl]-1H-1,2,3-benzotriazole is C14H12N6.
The molecular weight of 1-[2-(2H-1,2,3-Benzotriazol-2-yl)ethyl]-1H-1,2,3-benzotriazole is 264.11234 g/mol.
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