TL;DR: Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-phenyl- (CAS 152423-08-0) is a chemical compound with molecular formula C13H8N4OS and molecular weight 268.04187 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-phenyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
Also Known As: 6-Phenylpyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-phenyl-, 5-Phenyl-7-thia-4a,8-diazacyclopent[f]indazol-4(1H)-one, 6-Phenylpyrazolo[3,4-d][1,3]thiazolo[3,2-a]pyrimidin-4(1H)-one, 12-phenyl-10-thia-1,5,6,8-tetraazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
| Molecular Formula | C13H8N4OS |
| Molecular Weight | 268.04187 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 268.04187 Da |
| Heavy Atoms | 19 |
| Complexity | 469.0 |
| SMILES | C1=CC=C(C=C1)C2=CSC3=NC4=C(C=NN4)C(=O)N23 |
| InChIKey | CKSHJSWOXJXFPI-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-phenyl-. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-phenyl-. Following Lipinski's Rule of Five, Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-phenyl- 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 Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-phenyl- is 152423-08-0.
The molecular formula of Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-phenyl- is C13H8N4OS.
The molecular weight of Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-phenyl- is 268.04187 g/mol.
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