RefChem:1058259
TL;DR: RefChem:1058259 (CAS 147700-40-1) is a chemical compound with molecular formula C21H26N4O5 and molecular weight 414.1903 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-diethyl-7-methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione
Also Known As: (E)-1,3-Diethyl-7-methyl-8-(3,4,5-trimethoxystyryl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-7-methyl-8-(2-(3,4,5-trimethoxyphenyl)ethenyl)-,(E)-, 1,3-Diethyl-7-methyl-8-(3,4,5-trimethoxystyryl)xanthine, 1,3-diethyl-7-methyl-8-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]purine-2,6-dione, 1,3-Diethyl-7-methyl-8-[2-(3,4,5-trimethoxy-phenyl)-vinyl]-3,7-dihydro-purine-2,6-dione
Technical Specifications
| Molecular Formula | C21H26N4O5 |
| Molecular Weight | 414.1903 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.1903 Da |
| Heavy Atoms | 30 |
| Complexity | 645.0 |
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC(=C(C(=C3)OC)OC)OC)C |
| InChIKey | ZUVCBMUGYDVTKR-MDZDMXLPSA-N |
Chemical Property Profile of RefChem:1058259
Property Insights of RefChem:1058259
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1058259. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058259. Following Lipinski's Rule of Five, RefChem:1058259 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
What is the CAS number of RefChem:1058259?
The CAS number of RefChem:1058259 is 147700-40-1.
What is the molecular formula of RefChem:1058259?
The molecular formula of RefChem:1058259 is C21H26N4O5.
What is the molecular weight of RefChem:1058259?
The molecular weight of RefChem:1058259 is 414.1903 g/mol.
Where can I buy RefChem:1058259?
You can request a quote for RefChem:1058259 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058259?
Yes, CoreyChem provides custom synthesis services for RefChem:1058259 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.