TL;DR: 8-[2-(4-Butoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione (CAS 151539-45-6) is a chemical compound with molecular formula C24H32N4O3 and molecular weight 424.24744 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[2-(4-butoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Also Known As: (E)-8-(4-Butoxystyryl)-7-methyl-1,3-dipropylxanthine, 1H-Purine-2,6-dione,8-[2-(4-butoxyphenyl)ethenyl]-3,7-dihydro-7-methyl-1,3-dipropyl-, (E)- (9CI), (E)-8-(2-(4-Butoxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-3,7-dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-butoxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-
| Molecular Formula | C24H32N4O3 |
| Molecular Weight | 424.24744 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 424.24744 Da |
| Heavy Atoms | 31 |
| Complexity | 632.0 |
| SMILES | CCCCOC1=CC=C(C=C1)C=CC2=NC3=C(N2C)C(=O)N(C(=O)N3CCC)CCC |
| InChIKey | OJNKZLMFCCEFTA-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 8-[2-(4-Butoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[2-(4-Butoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[2-(4-Butoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-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-[2-(4-Butoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is 151539-45-6.
The molecular formula of 8-[2-(4-Butoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is C24H32N4O3.
The molecular weight of 8-[2-(4-Butoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is 424.24744 g/mol.
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