![8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione structure](/static/products/1558/155814-34-9.webp)
8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
TL;DR: 8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione (CAS 155814-34-9) is a chemical compound with molecular formula C19H22N4O3 and molecular weight 354.1692 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]-1,3,7-trimethylpurine-2,6-dione
Also Known As: (E)-8-(4-Methoxy-2,5-dimethylstyryl)caffeine, 8-[2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,5-dimethyl-4-methoxyphenyl)ethenyl)-1,3,7-trimethyl-,(E)-, 1H-Purine-2,6-dione,3,7-dihydro-8-[2-(4-methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethyl-, (E)-(9CI)
Technical Specifications
| Molecular Formula | C19H22N4O3 |
| Molecular Weight | 354.1692 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.1692 Da |
| Heavy Atoms | 26 |
| Complexity | 595.0 |
| SMILES | CC1=CC(=C(C=C1OC)C)C=CC2=NC3=C(N2C)C(=O)N(C(=O)N3C)C |
| InChIKey | HYJNXAOWTWJLMD-UHFFFAOYSA-N |
Chemical Property Profile of 8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
Property Insights of 8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-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.
Frequently Asked Questions
What is the CAS number of 8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione?
The CAS number of 8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione is 155814-34-9.
What is the molecular formula of 8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione?
The molecular formula of 8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione is C19H22N4O3.
What is the molecular weight of 8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione?
The molecular weight of 8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione is 354.1692 g/mol.
Where can I buy 8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione?
You can request a quote for 8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 8-[2-(4-Methoxy-2,5-dimethylphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.