TL;DR: 8-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-dipropyl-7-prop-2-ynylpurine-2,6-dione (CAS 155814-25-8) is a chemical compound with molecular formula C24H28N4O4 and molecular weight 436.21106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[2-(3,4-dimethoxyphenyl)ethenyl]-1,3-dipropyl-7-prop-2-ynylpurine-2,6-dione
Also Known As: (E)-8-(3,4-Dimethoxystyryl)-7-propargyl-1,3-dipropylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-dipropyl-7-(2-propynyl)-, (E)-, 1H-Purine-2,6-dione,8-[2-(3,4-dimethoxyphenyl)ethenyl]-3,7-dihydro-1,3-dipropyl-7-(2-propynyl)-,(E)- (9CI)
| Molecular Formula | C24H28N4O4 |
| Molecular Weight | 436.21106 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 436.21106 Da |
| Heavy Atoms | 32 |
| Complexity | 748.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC(=C(C=C3)OC)OC)CC#C |
| InChIKey | PMZASEDWDGZJHK-UHFFFAOYSA-N |
The XLogP value of 3.8 indicates that 8-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-dipropyl-7-prop-2-ynylpurine-2,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-dipropyl-7-prop-2-ynylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-dipropyl-7-prop-2-ynylpurine-2,6-dione has 0 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-Dimethoxyphenyl)ethenyl]-1,3-dipropyl-7-prop-2-ynylpurine-2,6-dione is 155814-25-8.
The molecular formula of 8-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-dipropyl-7-prop-2-ynylpurine-2,6-dione is C24H28N4O4.
The molecular weight of 8-[2-(3,4-Dimethoxyphenyl)ethenyl]-1,3-dipropyl-7-prop-2-ynylpurine-2,6-dione is 436.21106 g/mol.
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