TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-8-ethyl- (CAS 132560-15-7) is a chemical compound with molecular formula C15H24N4O2 and molecular weight 292.1899 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-ethyl-1,3-bis(2-methylpropyl)-7H-purine-2,6-dione
Also Known As: Xanthine, 1,3-diisobutyl-8-ethyl-, 1,3-Diisobutyl-8-ethylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-8-ethyl-, 3,7-Dihydro-1,3-bis(2-methylpropyl)-8-ethyl-1H-purine-2,6-dione, 8-ethyl-1,3-bis(2-methylpropyl)-7H-purine-2,6-dione
| Molecular Formula | C15H24N4O2 |
| Molecular Weight | 292.1899 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.1899 Da |
| Heavy Atoms | 21 |
| Complexity | 410.0 |
| SMILES | CCC1=NC2=C(N1)C(=O)N(C(=O)N2CC(C)C)CC(C)C |
| InChIKey | VUKGEIDHBPXCHL-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-8-ethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-8-ethyl-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-8-ethyl- has 1 hydrogen bond donor(s) and 3 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-1,3-bis(2-methylpropyl)-8-ethyl- is 132560-15-7.
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-8-ethyl- is C15H24N4O2.
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-bis(2-methylpropyl)-8-ethyl- is 292.1899 g/mol.
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