TL;DR: Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione, 6-(4-fluorophenyl)- (CAS 152423-18-2) is a chemical compound with molecular formula C13H7FN4S2 and molecular weight 302.0096 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
12-(4-fluorophenyl)-10-thia-1,5,6,8-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraene-2-thione
Also Known As: Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione, 6-(4-fluorophenyl)-, 6-(4-Fluorophenyl)pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione, 5-(4-Fluorophenyl)-7-thia-4a,8-diazacyclopent[f]indazole-4(1H)-thione, 6-(4-Fluorophenyl)pyrazolo[3,4-d][1,3]thiazolo[3,2-a]pyrimidine-4(1H)-thione, 12-(4-fluorophenyl)-10-thia-1,5,6,8-tetraazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraene-2-thione
| Molecular Formula | C13H7FN4S2 |
| Molecular Weight | 302.0096 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.0096 Da |
| Heavy Atoms | 20 |
| Complexity | 499.0 |
| SMILES | C1=CC(=CC=C1C2=CSC3=NC4=C(C=NN4)C(=S)N23)F |
| InChIKey | KOTHELHSWVHJIB-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione, 6-(4-fluorophenyl)-. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione, 6-(4-fluorophenyl)-. Following Lipinski's Rule of Five, Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione, 6-(4-fluorophenyl)- has 1 hydrogen bond donor(s) and 5 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)pyrimidine-4(1H)-thione, 6-(4-fluorophenyl)- is 152423-18-2.
The molecular formula of Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione, 6-(4-fluorophenyl)- is C13H7FN4S2.
The molecular weight of Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidine-4(1H)-thione, 6-(4-fluorophenyl)- is 302.0096 g/mol.
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