RefChem:1058345
TL;DR: RefChem:1058345 (CAS 147700-53-6) is a chemical compound with molecular formula C22H28N4O5 and molecular weight 428.20596 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dipropyl-8-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione
Also Known As: (E)-1,3-Dipropyl-8-(2,4,5-trimethoxystyryl)xanthine, 1,3-Dipropyl-8-(2,4,5-trimethoxystyryl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(2,4,5-trimethoxyphenyl)ethenyl)-, (E)-, (E)-1,3-Dipropyl-8-(2-(2,4,5-trimethoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-dipropyl-8-[(E)-2-(2,4,5-trimethoxyphenyl)ethenyl]-7H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C22H28N4O5 |
| Molecular Weight | 428.20596 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 97.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 428.20596 Da |
| Heavy Atoms | 31 |
| Complexity | 660.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)/C=C/C3=CC(=C(C=C3OC)OC)OC |
| InChIKey | JJYXOANLHLYJOF-CMDGGOBGSA-N |
Chemical Property Profile of RefChem:1058345
Property Insights of RefChem:1058345
The XLogP value of 3.6 indicates that RefChem:1058345 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058345. Following Lipinski's Rule of Five, RefChem:1058345 has 1 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:1058345?
The CAS number of RefChem:1058345 is 147700-53-6.
What is the molecular formula of RefChem:1058345?
The molecular formula of RefChem:1058345 is C22H28N4O5.
What is the molecular weight of RefChem:1058345?
The molecular weight of RefChem:1058345 is 428.20596 g/mol.
Where can I buy RefChem:1058345?
You can request a quote for RefChem:1058345 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058345?
Yes, CoreyChem provides custom synthesis services for RefChem:1058345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.