TL;DR: 8-Bromo-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione (CAS 115308-41-3) is a chemical compound with molecular formula C11H15BrN4O3 and molecular weight 330.03275 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-bromo-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione
Also Known As: 8-bromo-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione, AB01289676-01, F1614-0007, 8-bromo-7-(2-ethoxyethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 8-bromo-7-(2-ethoxyethyl)-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione
| Molecular Formula | C11H15BrN4O3 |
| Molecular Weight | 330.03275 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.03275 Da |
| Heavy Atoms | 19 |
| Complexity | 381.0 |
| SMILES | CCOCCN1C2=C(N=C1Br)N(C(=O)N(C2=O)C)C |
| InChIKey | CIWPYGKQNZGERT-UHFFFAOYSA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Bromo-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Bromo-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-Bromo-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-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 8-Bromo-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione is 115308-41-3.
The molecular formula of 8-Bromo-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione is C11H15BrN4O3.
The molecular weight of 8-Bromo-7-(2-ethoxyethyl)-1,3-dimethylpurine-2,6-dione is 330.03275 g/mol.
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