TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-7-(3,3-diethoxypropyl)-1-methyl-3-(2-methylpropyl)- (CAS 132560-18-0) is a chemical compound with molecular formula C17H28N4O4 and molecular weight 352.21106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-(3,3-diethoxypropyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
Also Known As: 1H-Purine-2,6-dione, 3,7-dihydro-7-(3,3-diethoxypropyl)-1-methyl-3-(2-methylpropyl)-, 1H-Purine-7-propionaldehyde, 2,3,6,7-tetrahydro-2,6-dioxo-3-isobutyl-1-methyl-, diethyl acetal, 1-Methyl-3-isobutyl-7-(3,3-diethoxypropyl)xanthine, 7-(3,3-diethoxypropyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione, 7-(3,3-Diethoxypropyl)-1-methyl-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C17H28N4O4 |
| Molecular Weight | 352.21106 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 352.21106 Da |
| Heavy Atoms | 25 |
| Complexity | 468.0 |
| SMILES | CCOC(CCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)C)OCC |
| InChIKey | ARCIHEHQHLFENI-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Purine-2,6-dione, 3,7-dihydro-7-(3,3-diethoxypropyl)-1-methyl-3-(2-methylpropyl)-. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-7-(3,3-diethoxypropyl)-1-methyl-3-(2-methylpropyl)-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-7-(3,3-diethoxypropyl)-1-methyl-3-(2-methylpropyl)- has 0 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 1H-Purine-2,6-dione, 3,7-dihydro-7-(3,3-diethoxypropyl)-1-methyl-3-(2-methylpropyl)- is 132560-18-0.
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-7-(3,3-diethoxypropyl)-1-methyl-3-(2-methylpropyl)- is C17H28N4O4.
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-7-(3,3-diethoxypropyl)-1-methyl-3-(2-methylpropyl)- is 352.21106 g/mol.
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