TL;DR: Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-(acetyloxy)phenyl)-1-phenyl- (CAS 138188-00-8) is a chemical compound with molecular formula C19H13N3O4 and molecular weight 347.0906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(4-oxo-1-phenylpyrazolo[5,4-d][1,3]oxazin-6-yl)phenyl] acetate
Also Known As: Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-(acetyloxy)phenyl)-1-phenyl-, 6-(2-(Acetyloxy)phenyl)-1-phenylpyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, [2-(4-oxo-1-phenylpyrazolo[3,4-d][1,3]oxazin-6-yl)phenyl] acetate, 2-(4-Oxo-1-phenyl-1,4-dihydropyrazolo[3,4-d][1,3]oxazin-6-yl)phenyl acetate, BRN 4823503
| Molecular Formula | C19H13N3O4 |
| Molecular Weight | 347.0906 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 82.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 347.0906 Da |
| Heavy Atoms | 26 |
| Complexity | 587.0 |
| SMILES | CC(=O)OC1=CC=CC=C1C2=NC3=C(C=NN3C4=CC=CC=C4)C(=O)O2 |
| InChIKey | WRXCCSTXCJRBRD-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-(acetyloxy)phenyl)-1-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-(acetyloxy)phenyl)-1-phenyl-. Following Lipinski's Rule of Five, Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-(acetyloxy)phenyl)-1-phenyl- has 0 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 Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-(acetyloxy)phenyl)-1-phenyl- is 138188-00-8.
The molecular formula of Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-(acetyloxy)phenyl)-1-phenyl- is C19H13N3O4.
The molecular weight of Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-(acetyloxy)phenyl)-1-phenyl- is 347.0906 g/mol.
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