TL;DR: Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-hydroxyphenyl)-1-phenyl- (CAS 115445-74-4) is a chemical compound with molecular formula C17H11N3O3 and molecular weight 305.08005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(2-hydroxyphenyl)-1-phenylpyrazolo[5,4-d][1,3]oxazin-4-one
Also Known As: 6-(2-Hydroxyphenyl)-1-phenylpyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-hydroxyphenyl)-1-phenyl-, 1-Phenyl-6-(2-hydroxyphenyl)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one, 6-(2-hydroxyphenyl)-1-phenyl-1H,4H-pyrazolo[3,4-d][1,3]oxazin-4-one, (6E)-6-(6-oxocyclohexa-2,4-dien-1-ylidene)-1-phenyl-2H-pyrazolo[3,4-d][1,3]oxazin-4-one
| Molecular Formula | C17H11N3O3 |
| Molecular Weight | 305.08005 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 305.08005 Da |
| Heavy Atoms | 23 |
| Complexity | 489.0 |
| SMILES | C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)OC(=N3)C4=CC=CC=C4O |
| InChIKey | ZHHAXRWNPOFCOS-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-hydroxyphenyl)-1-phenyl-. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-hydroxyphenyl)-1-phenyl-. Following Lipinski's Rule of Five, Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-hydroxyphenyl)-1-phenyl- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-hydroxyphenyl)-1-phenyl- is 115445-74-4.
The molecular formula of Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-hydroxyphenyl)-1-phenyl- is C17H11N3O3.
The molecular weight of Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-hydroxyphenyl)-1-phenyl- is 305.08005 g/mol.
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