TL;DR: 2-(7H-[1,2,3]Triazolo[4,5-E][2,1,3]benzoxadiazol-7-yl)phenol (CAS 166766-15-0) is a chemical compound with molecular formula C12H7N5O2 and molecular weight 253.05997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(triazolo[4,5-g][2,1,3]benzoxadiazol-7-yl)phenol
Also Known As: NCI60_024220, 2-(triazolo[4,5-g][2,1,3]benzoxadiazol-7-yl)phenol, 7-(2-Hydroxyphenyl)(7H)triazolo[e]benzofurazan, 2-(7H-[1,2,3]Triazolo[4,5-E][2,1,3]benzoxadiazol-7-yl)phenol, Phenol, 2-(7H-furazano[3,4-E]benzotriazol-7-yl)-
| Molecular Formula | C12H7N5O2 |
| Molecular Weight | 253.05997 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.05997 Da |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
| SMILES | C1=CC=C(C(=C1)N2N=C3C=CC4=NON=C4C3=N2)O |
| InChIKey | KIACNIKPMWVBNY-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(7H-[1,2,3]Triazolo[4,5-E][2,1,3]benzoxadiazol-7-yl)phenol. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(7H-[1,2,3]Triazolo[4,5-E][2,1,3]benzoxadiazol-7-yl)phenol. Following Lipinski's Rule of Five, 2-(7H-[1,2,3]Triazolo[4,5-E][2,1,3]benzoxadiazol-7-yl)phenol has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(7H-[1,2,3]Triazolo[4,5-E][2,1,3]benzoxadiazol-7-yl)phenol is 166766-15-0.
The molecular formula of 2-(7H-[1,2,3]Triazolo[4,5-E][2,1,3]benzoxadiazol-7-yl)phenol is C12H7N5O2.
The molecular weight of 2-(7H-[1,2,3]Triazolo[4,5-E][2,1,3]benzoxadiazol-7-yl)phenol is 253.05997 g/mol.
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