TL;DR: 7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-6-one (CAS 146767-20-6) is a chemical compound with molecular formula C9H7N3O2 and molecular weight 189.05383 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-6-one
Also Known As: 7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-6-one, 7,8-dihydrochromeno[6,7-d][1,2,3]triazol-6(2H)-one
| Molecular Formula | C9H7N3O2 |
| Molecular Weight | 189.05383 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 189.05383 Da |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
| SMILES | C1CC(=O)OC2=CC3=NNN=C3C=C21 |
| InChIKey | JJCRPTMSKJEQHW-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-6-one. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-6-one. Following Lipinski's Rule of Five, 7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-6-one 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 7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-6-one is 146767-20-6.
The molecular formula of 7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-6-one is C9H7N3O2.
The molecular weight of 7,8-dihydro-2H-pyrano[2,3-f]benzotriazol-6-one is 189.05383 g/mol.
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