(E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione
TL;DR: (E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione (CAS 51389-37-8) is a chemical compound with molecular formula C19H22N4O5 and molecular weight 386.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,7-trimethyl-8-[2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione
Also Known As: (E)-8-(3,4,5-Trimethoxystyryl)caffeine, 1,3,7-trimethyl-8-[2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione, (E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione, (E)-8-(2-(3,4,5-Trimethoxyphenyl)ethenyl)-3,4-dihydro-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,4-dihydro-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-, (E)-
| Molecular Formula | C19H22N4O5 |
|---|---|
| Molecular Weight | 386.16 g/mol |
| LogP | 1.1669 |
| Topological Polar Surface Area | 89.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.15903 |
| Heavy Atoms | 28 |
| Complexity | 1174.7202 |
Chemical Identifiers
| CAS Number | 51389-37-8 |
|---|---|
| SMILES | CN1C(=NC2=C1C(=O)N(C(=O)N2C)C)C=CC3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
(E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione (CAS 51389-37-8), with molecular formula C19H22N4O5 and molecular weight 386.16 g/mol. IUPAC: 1,3,7-trimethyl-8-[2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione.
Chemical Property Profile of (E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione
Property Insights of (E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione
The XLogP value of 1.1669 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione. The TPSA of 89.51 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione. Following Lipinski's Rule of Five, (E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione has 0 hydrogen bond donor(s) and 6 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 (E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione?
The CAS number of (E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione is 51389-37-8.
What is the molecular formula of (E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione?
The molecular formula of (E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione is C19H22N4O5.
What is the molecular weight of (E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione?
The molecular weight of (E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione is 386.16 g/mol.
Where can I buy (E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione?
You can request a quote for (E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1,3,7-Trimethyl-8-(3,4,5-trimethoxystyryl)-1H-purine-2,6(3H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.