TL;DR: 3-amino-6-(dimethylamino)-1-(4-methoxyphenyl)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one (CAS 136860-19-0) is a chemical compound with molecular formula C14H15N5O3 and molecular weight 301.1175 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-6-(dimethylamino)-1-(4-methoxyphenyl)pyrazolo[5,4-d][1,3]oxazin-4-one
Also Known As: 3-amino-6-(dimethylamino)-1-(4-methoxyphenyl)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one, 8F-935, 3-amino-6-(dimethylamino)-1-(4-methoxyphenyl)pyrazolo[3,4-d][1,3]oxazin-4-one, 3-amino-6-(dimethylamino)-1-(4-methoxyphenyl)-1H,4H-pyrazolo[3,4-d][1,3]oxazin-4-one
| Molecular Formula | C14H15N5O3 |
| Molecular Weight | 301.1175 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 95.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.1175 Da |
| Heavy Atoms | 22 |
| Complexity | 461.0 |
| SMILES | CN(C)C1=NC2=C(C(=NN2C3=CC=C(C=C3)OC)N)C(=O)O1 |
| InChIKey | IBPARLYJEXSTGU-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-6-(dimethylamino)-1-(4-methoxyphenyl)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-6-(dimethylamino)-1-(4-methoxyphenyl)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one. Following Lipinski's Rule of Five, 3-amino-6-(dimethylamino)-1-(4-methoxyphenyl)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one 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 3-amino-6-(dimethylamino)-1-(4-methoxyphenyl)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one is 136860-19-0.
The molecular formula of 3-amino-6-(dimethylamino)-1-(4-methoxyphenyl)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one is C14H15N5O3.
The molecular weight of 3-amino-6-(dimethylamino)-1-(4-methoxyphenyl)pyrazolo[3,4-d][1,3]oxazin-4(1H)-one is 301.1175 g/mol.
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