TL;DR: 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione (CAS 151539-30-9) is a chemical compound with molecular formula C22H28N4O2 and molecular weight 380.22122 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[2-(3,4-dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Also Known As: (E)-8-(3,4-Dimethylstyryl)-7-methyl-1,3-dipropylxanthine, 1H-Purine-2,6-dione,8-[2-(3,4-dimethylphenyl)ethenyl]-3,7-dihydro-7-methyl-1,3-dipropyl-, (E)-(9CI), 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethylphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-
| Molecular Formula | C22H28N4O2 |
| Molecular Weight | 380.22122 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 380.22122 Da |
| Heavy Atoms | 28 |
| Complexity | 607.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC(=C(C=C3)C)C)C |
| InChIKey | KMTYQFILBBQBBB-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.4 Ų, 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione has 0 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 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is 151539-30-9.
The molecular formula of 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is C22H28N4O2.
The molecular weight of 8-[2-(3,4-Dimethylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is 380.22122 g/mol.
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