TL;DR: 7-Methyl-8-[2-(4-propoxyphenyl)ethenyl]-1,3-dipropylpurine-2,6-dione (CAS 151539-44-5) is a chemical compound with molecular formula C23H30N4O3 and molecular weight 410.23178 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methyl-8-[2-(4-propoxyphenyl)ethenyl]-1,3-dipropylpurine-2,6-dione
Also Known As: (E)-7-Methyl-8-(4-propoxystyryl)-1,3-dipropylxanthine, 1H-Purine-2,6-dione,3,7-dihydro-7-methyl-8-[2-(4-propoxyphenyl)ethenyl]-1,3-dipropyl-, (E)- (9CI), (E)-1,3-Dipropyl-7-methyl-8-(2-(4-propoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-7-methyl-8-(2-(4-propoxyphenyl)ethenyl)-, (E)-
| Molecular Formula | C23H30N4O3 |
| Molecular Weight | 410.23178 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 410.23178 Da |
| Heavy Atoms | 30 |
| Complexity | 618.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC=C(C=C3)OCCC)C |
| InChIKey | JTWPSKSASMNZAW-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 7-Methyl-8-[2-(4-propoxyphenyl)ethenyl]-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 7-Methyl-8-[2-(4-propoxyphenyl)ethenyl]-1,3-dipropylpurine-2,6-dione. Following Lipinski's Rule of Five, 7-Methyl-8-[2-(4-propoxyphenyl)ethenyl]-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 7-Methyl-8-[2-(4-propoxyphenyl)ethenyl]-1,3-dipropylpurine-2,6-dione is 151539-44-5.
The molecular formula of 7-Methyl-8-[2-(4-propoxyphenyl)ethenyl]-1,3-dipropylpurine-2,6-dione is C23H30N4O3.
The molecular weight of 7-Methyl-8-[2-(4-propoxyphenyl)ethenyl]-1,3-dipropylpurine-2,6-dione is 410.23178 g/mol.
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