TL;DR: 8-[2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione (CAS 151539-37-6) is a chemical compound with molecular formula C22H28N4O3 and molecular weight 396.21616 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
Also Known As: (E)-8-(4-Methoxy-2,5-dimethylstyryl)-1,3-dipropylxanthine, 1H-Purine-2,6-dione,3,7-dihydro-8-[2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-1,3-dipropyl-, (E)-(9CI), 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(4-methoxy-2,5-dimethylphenyl)ethenyl)-, (E)-
| Molecular Formula | C22H28N4O3 |
| Molecular Weight | 396.21616 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.21616 Da |
| Heavy Atoms | 29 |
| Complexity | 625.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C=CC3=C(C=C(C(=C3)C)OC)C |
| InChIKey | NQVKNUOSPJBNIG-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 8-[2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione. Following Lipinski's Rule of Five, 8-[2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione has 1 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-methoxy-2,5-dimethylphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione is 151539-37-6.
The molecular formula of 8-[2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione is C22H28N4O3.
The molecular weight of 8-[2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione is 396.21616 g/mol.
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