TL;DR: Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-methyl- (CAS 152423-07-9) is a chemical compound with molecular formula C8H6N4OS and molecular weight 206.02623 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-methyl-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one
Also Known As: 1H-pyrazolothiazolo4H-pyrimidin-4-one, Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-methyl-, NCI60_024478, 6-Methylpyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-Methylpyrazolo[3,4-d][1,3]thiazolo[3,2-a]pyrimidin-4(1H)-one
| Molecular Formula | C8H6N4OS |
| Molecular Weight | 206.02623 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 86.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 206.02623 Da |
| Heavy Atoms | 14 |
| Complexity | 364.0 |
| SMILES | CC1=CSC2=NC3=C(C=NN3)C(=O)N12 |
| InChIKey | XNIFRFGBXNTKSI-UHFFFAOYSA-N |
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-methyl-. 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-methyl-. Following Lipinski's Rule of Five, Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-methyl- 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-methyl- is 152423-07-9.
The molecular formula of Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-methyl- is C8H6N4OS.
The molecular weight of Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-methyl- is 206.02623 g/mol.
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