TL;DR: 8-[2-(3,4-Dihydroxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione (CAS 151539-46-7) is a chemical compound with molecular formula C20H24N4O4 and molecular weight 384.17975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[2-(3,4-dihydroxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Also Known As: 1H-Purine-2,6-dione,8-[2-(3,4-dihydroxyphenyl)ethenyl]-3,7-dihydro-7-methyl-1,3-dipropyl-, (E)-(9CI)
| Molecular Formula | C20H24N4O4 |
| Molecular Weight | 384.17975 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 98.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.17975 Da |
| Heavy Atoms | 28 |
| Complexity | 613.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC(=C(C=C3)O)O)C |
| InChIKey | BKNSCOIMILYNDF-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 8-[2-(3,4-Dihydroxyphenyl)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 98.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[2-(3,4-Dihydroxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[2-(3,4-Dihydroxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione has 2 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 8-[2-(3,4-Dihydroxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is 151539-46-7.
The molecular formula of 8-[2-(3,4-Dihydroxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is C20H24N4O4.
The molecular weight of 8-[2-(3,4-Dihydroxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is 384.17975 g/mol.
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