TL;DR: Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-methyl- (CAS 138187-97-0) is a chemical compound with molecular formula C12H8ClN3O2 and molecular weight 261.03052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(2-chlorophenyl)-1-methylpyrazolo[5,4-d][1,3]oxazin-4-one
Also Known As: Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-methyl-, 6-(2-Chlorophenyl)-1-methylpyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-methylpyrazolo[3,4-d][1,3]oxazin-4-one, 1-Methyl-6-(2-chlorophenyl)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one, 6-(2-Chlorophenyl)-1-methylpyrazolo[3,4-d][1,3]oxazin-4(1H)-one
| Molecular Formula | C12H8ClN3O2 |
| Molecular Weight | 261.03052 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.03052 Da |
| Heavy Atoms | 18 |
| Complexity | 388.0 |
| SMILES | CN1C2=C(C=N1)C(=O)OC(=N2)C3=CC=CC=C3Cl |
| InChIKey | ZOUGVSJRACYZCD-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-methyl-. With a topological polar surface area (TPSA) of 56.5 Ų, Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-methyl- 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 Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-methyl- is 138187-97-0.
The molecular formula of Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-methyl- is C12H8ClN3O2.
The molecular weight of Pyrazolo(3,4-d)(1,3)oxazin-4(1H)-one, 6-(2-chlorophenyl)-1-methyl- is 261.03052 g/mol.
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