RefChem:1058394
TL;DR: RefChem:1058394 (CAS 151539-21-8) is a chemical compound with molecular formula C23H30N4O4 and molecular weight 426.2267 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(E)-2-(2,4-dimethoxy-3-methylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Also Known As: (E)-8-(2,4-Dimethoxy-3-methylstyryl)-7-methyl-1,3-dipropylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2,4-dimethoxy-3-methylphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-, 8-[(E)-2-(2,4-dimethoxy-3-methylphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione, 8-[(E)-2-(2,4-Dimethoxy-3-methyl-phenyl)-vinyl]-7-methyl-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
Technical Specifications
| Molecular Formula | C23H30N4O4 |
| Molecular Weight | 426.2267 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 426.2267 Da |
| Heavy Atoms | 31 |
| Complexity | 672.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=C(C(=C(C=C3)OC)C)OC)C |
| InChIKey | IIVLGLJKIYHOOI-ZRDIBKRKSA-N |
Chemical Property Profile of RefChem:1058394
Property Insights of RefChem:1058394
The XLogP value of 4.0 indicates that RefChem:1058394 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058394. Following Lipinski's Rule of Five, RefChem:1058394 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
What is the CAS number of RefChem:1058394?
The CAS number of RefChem:1058394 is 151539-21-8.
What is the molecular formula of RefChem:1058394?
The molecular formula of RefChem:1058394 is C23H30N4O4.
What is the molecular weight of RefChem:1058394?
The molecular weight of RefChem:1058394 is 426.2267 g/mol.
Where can I buy RefChem:1058394?
You can request a quote for RefChem:1058394 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058394?
Yes, CoreyChem provides custom synthesis services for RefChem:1058394 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.