![8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione structure](/static/products/1552/155271-45-7.webp)
8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
TL;DR: 8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione (CAS 155271-45-7) is a chemical compound with molecular formula C18H19ClN4O4 and molecular weight 390.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
Also Known As: (E)-8-(2-Chloro-3,4-dimethoxystyryl)caffeine, 8-[2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-chloro-3,4-dimethoxyphenyl)ethenyl)-1,3,7-trimethyl-,(E)-, 1H-Purine-2,6-dione,8-[2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-3,7-dihydro-1,3,7-trimethyl-, (E)-(9CI)
| Molecular Formula | C18H19ClN4O4 |
|---|---|
| Molecular Weight | 390.11 g/mol |
| LogP | 1.8117 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.1095 |
| Heavy Atoms | 27 |
| Complexity | 1187.0056 |
Chemical Identifiers
| CAS Number | 155271-45-7 |
|---|---|
| SMILES | CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=C(C(=C(C=C3)OC)OC)Cl |
Product Overview
8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione (CAS 155271-45-7), with molecular formula C18H19ClN4O4 and molecular weight 390.11 g/mol. IUPAC: 8-[2-(2-chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
Property Insights of 8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
The XLogP value of 1.8117 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-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.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione?
The CAS number of 8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione is 155271-45-7.
What is the molecular formula of 8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione?
The molecular formula of 8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione is C18H19ClN4O4.
What is the molecular weight of 8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione?
The molecular weight of 8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione is 390.11 g/mol.
Where can I buy 8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione?
You can request a quote for 8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[2-(2-Chloro-3,4-dimethoxyphenyl)ethenyl]-1,3,7-trimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.