TL;DR: 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-8-ethyl-1-methyl- (CAS 132560-14-6) is a chemical compound with molecular formula C15H22N4O2 and molecular weight 290.1743 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(cyclohexylmethyl)-8-ethyl-1-methyl-7H-purine-2,6-dione
Also Known As: CYCLOHEXYLLINE, Xanthine, 3-(cyclohexylmethyl)-8-ethyl-1-methyl-, 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-8-ethyl-1-methyl-, 3-(cyclohexylmethyl)-8-ethyl-1-methyl-7H-purine-2,6-dione, 1-Methyl-3-(cyclohexylmethyl)-8-ethylxanthine
| Molecular Formula | C15H22N4O2 |
| Molecular Weight | 290.1743 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.1743 Da |
| Heavy Atoms | 21 |
| Complexity | 422.0 |
| SMILES | CCC1=NC2=C(N1)C(=O)N(C(=O)N2CC3CCCCC3)C |
| InChIKey | SWSFHPSADADZST-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-8-ethyl-1-methyl- 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-3-(cyclohexylmethyl)-8-ethyl-1-methyl-. Following Lipinski's Rule of Five, 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-8-ethyl-1-methyl- 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-3-(cyclohexylmethyl)-8-ethyl-1-methyl- is 132560-14-6.
The molecular formula of 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-8-ethyl-1-methyl- is C15H22N4O2.
The molecular weight of 1H-Purine-2,6-dione, 3,7-dihydro-3-(cyclohexylmethyl)-8-ethyl-1-methyl- is 290.1743 g/mol.
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