TL;DR: 1,4,6a-Trimethyl-4-(3-oxobutyl)decahydrocyclopenta[f]isochromene-2,7-dione (CAS 154163-93-6) is a chemical compound with molecular formula C19H28O4 and molecular weight 320.19876 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4,6a-trimethyl-4-(3-oxobutyl)-1,4a,5,6,8,9,9a,9b-octahydrocyclopenta[f]isochromene-2,7-dione
Also Known As: KST-1B0667, 1,4,6a-trimethyl-4-(3-oxobutyl)decahydrocyclopenta[f]isochromene-2,7-dione, 1,4,6a-trimethyl-4-(3-oxobutyl)-1,4a,5,6,8,9,9a,9b-octahydro, Pyridine,3-bromo-5-[[[(1,1-dimethylethyl)diphenylsilyl]oxy]methyl], 1,4,6a-trimethyl-4-(3-oxobutyl)-1,4a,5,6,8,9,9a,9b-octahydrocyclopenta[f]isochromene-2,7-dione
| Molecular Formula | C19H28O4 |
| Molecular Weight | 320.19876 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.19876 Da |
| Heavy Atoms | 23 |
| Complexity | 554.0 |
| SMILES | CC1C2C3CCC(=O)C3(CCC2C(OC1=O)(C)CCC(=O)C)C |
| InChIKey | NHZLUFNTQGVTCV-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,6a-Trimethyl-4-(3-oxobutyl)decahydrocyclopenta[f]isochromene-2,7-dione. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,6a-Trimethyl-4-(3-oxobutyl)decahydrocyclopenta[f]isochromene-2,7-dione. Following Lipinski's Rule of Five, 1,4,6a-Trimethyl-4-(3-oxobutyl)decahydrocyclopenta[f]isochromene-2,7-dione has 0 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 1,4,6a-Trimethyl-4-(3-oxobutyl)decahydrocyclopenta[f]isochromene-2,7-dione is 154163-93-6.
The molecular formula of 1,4,6a-Trimethyl-4-(3-oxobutyl)decahydrocyclopenta[f]isochromene-2,7-dione is C19H28O4.
The molecular weight of 1,4,6a-Trimethyl-4-(3-oxobutyl)decahydrocyclopenta[f]isochromene-2,7-dione is 320.19876 g/mol.
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