RefChem:1058351
TL;DR: RefChem:1058351 (CAS 151539-57-0) is a chemical compound with molecular formula C21H26N4O4 and molecular weight 398.1954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Also Known As: (E)-8-(3-Hydroxy-4-methoxystyryl)-7-methyl-1,3-dipropylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(3-hydroxy-4-methoxyphenyl)ethenyl)-7-methyl-, (E)-, 8-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Technical Specifications
| Molecular Formula | C21H26N4O4 |
| Molecular Weight | 398.1954 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.1954 Da |
| Heavy Atoms | 29 |
| Complexity | 628.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=C(C=C3)OC)O)C |
| InChIKey | KMKQQHCBKAOVQJ-CSKARUKUSA-N |
Chemical Property Profile of RefChem:1058351
Property Insights of RefChem:1058351
The XLogP value of 3.3 indicates that RefChem:1058351 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058351. Following Lipinski's Rule of Five, RefChem:1058351 has 1 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:1058351?
The CAS number of RefChem:1058351 is 151539-57-0.
What is the molecular formula of RefChem:1058351?
The molecular formula of RefChem:1058351 is C21H26N4O4.
What is the molecular weight of RefChem:1058351?
The molecular weight of RefChem:1058351 is 398.1954 g/mol.
Where can I buy RefChem:1058351?
You can request a quote for RefChem:1058351 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058351?
Yes, CoreyChem provides custom synthesis services for RefChem:1058351 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.