TL;DR: 8-[2-(4-Methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione (CAS 151539-65-0) is a chemical compound with molecular formula C25H28N4O3 and molecular weight 432.21616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Also Known As: (E)-8-(2-(4-Methoxynaphthyl)vinyl)-7-methyl-1,3-dipropylxanthine, 1H-Purine-2,6-dione,3,7-dihydro-8-[2-(4-methoxy-1-naphthalenyl)ethenyl]-7-methyl-1,3-dipropyl-,(E)- (9CI), 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(4-methoxy-1-naphthalenyl)ethenyl)-7-methyl-, (E)-
| Molecular Formula | C25H28N4O3 |
| Molecular Weight | 432.21616 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 432.21616 Da |
| Heavy Atoms | 32 |
| Complexity | 713.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC=C(C4=CC=CC=C34)OC)C |
| InChIKey | VJMCJAORZNGBHE-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 8-[2-(4-Methoxynaphthalen-1-yl)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-Methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[2-(4-Methoxynaphthalen-1-yl)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-Methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is 151539-65-0.
The molecular formula of 8-[2-(4-Methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is C25H28N4O3.
The molecular weight of 8-[2-(4-Methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione is 432.21616 g/mol.
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