![8-[2-(1,3-Benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione structure](/static/products/1552/155271-19-5.webp)
8-[2-(1,3-Benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
TL;DR: 8-[2-(1,3-Benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione (CAS 155271-19-5) is a chemical compound with molecular formula C17H16N4O4 and molecular weight 340.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(1,3-benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
Also Known As: (E)-8-(3,4-Methylenedioxystyryl)caffeine, (E)-8-(2-(1,3-Benzodioxol-5-yl)ethenyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(1,3-benzodioxol-5-yl)ethenyl)-1,3,7-trimethyl-, (E)-, 1H-Purine-2,6-dione,8-[(1E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3,7-dihydro-1,3,7-trimethyl-
| Molecular Formula | C17H16N4O4 |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 0.8698 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 340.11716 |
| Heavy Atoms | 25 |
| Complexity | 1150.135 |
Chemical Identifiers
| CAS Number | 155271-19-5 |
|---|---|
| SMILES | CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=CC4=C(C=C3)OCO4 |
Product Overview
8-[2-(1,3-Benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione (CAS 155271-19-5), with molecular formula C17H16N4O4 and molecular weight 340.12 g/mol. IUPAC: 8-[2-(1,3-benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione.
Chemical Property Profile of 8-[2-(1,3-Benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
Property Insights of 8-[2-(1,3-Benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione
The XLogP value of 0.8698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-[2-(1,3-Benzodioxol-5-yl)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-(1,3-Benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione. Following Lipinski's Rule of Five, 8-[2-(1,3-Benzodioxol-5-yl)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-(1,3-Benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione?
The CAS number of 8-[2-(1,3-Benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione is 155271-19-5.
What is the molecular formula of 8-[2-(1,3-Benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione?
The molecular formula of 8-[2-(1,3-Benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione is C17H16N4O4.
What is the molecular weight of 8-[2-(1,3-Benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione?
The molecular weight of 8-[2-(1,3-Benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione is 340.12 g/mol.
Where can I buy 8-[2-(1,3-Benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione?
You can request a quote for 8-[2-(1,3-Benzodioxol-5-yl)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-(1,3-Benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 8-[2-(1,3-Benzodioxol-5-yl)ethenyl]-1,3,7-trimethylpurine-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.