TL;DR: GSK3a-IN-38 (CAS 1062138-03-7) is a chemical compound with molecular formula C18H20N4O and molecular weight 308.1637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7,7-trimethyl-4-pyridin-4-yl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
Also Known As: GSK3a-IN-38, GSK3-IN-7, 3,7,7-trimethyl-4-(4-pyridinyl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one, 3,7,7-Trimethyl-4-(pyridin-4-yl)-1,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one, 3W-0449
| Molecular Formula | C18H20N4O |
| Molecular Weight | 308.1637 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.1637 Da |
| Heavy Atoms | 23 |
| Complexity | 535.0 |
| SMILES | CC1=C2C(C3=C(CC(CC3=O)(C)C)NC2=NN1)C4=CC=NC=C4 |
| InChIKey | PTZKYSSXHZXQEM-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for GSK3a-IN-38. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for GSK3a-IN-38. Following Lipinski's Rule of Five, GSK3a-IN-38 has 2 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 GSK3a-IN-38 is 1062138-03-7.
The molecular formula of GSK3a-IN-38 is C18H20N4O.
The molecular weight of GSK3a-IN-38 is 308.1637 g/mol.
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