RefChem:1058457
TL;DR: RefChem:1058457 (CAS 151539-53-6) is a chemical compound with molecular formula C22H27BrN4O4 and molecular weight 490.12158 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Also Known As: (E)-8-(2-Bromo-4,5-dimethoxystyryl)-7-methyl-1,3-dipropylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-bromo-4,5-dimethoxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-, 8-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione, 1H-Purine-2,6-dione, 8-(2-(2-bromo-4,5-dimethoxyphenyl)ethenyl)-3,7-dihydro-7-methyl-1,3-dipropyl-, (E)-, 1H-Purine-2,6-dione, 8-[2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-3,7-dihydro-7-methyl-1,3-dipropyl-, (E)-
Technical Specifications
| Molecular Formula | C22H27BrN4O4 |
| Molecular Weight | 490.12158 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 76.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.12158 Da |
| Heavy Atoms | 31 |
| Complexity | 678.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=C(C=C3Br)OC)OC)C |
| InChIKey | UIORRJVOHAUQSW-CMDGGOBGSA-N |
Chemical Property Profile of RefChem:1058457
Property Insights of RefChem:1058457
The XLogP value of 4.3 indicates that RefChem:1058457 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:1058457. Following Lipinski's Rule of Five, RefChem:1058457 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:1058457?
The CAS number of RefChem:1058457 is 151539-53-6.
What is the molecular formula of RefChem:1058457?
The molecular formula of RefChem:1058457 is C22H27BrN4O4.
What is the molecular weight of RefChem:1058457?
The molecular weight of RefChem:1058457 is 490.12158 g/mol.
Where can I buy RefChem:1058457?
You can request a quote for RefChem:1058457 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058457?
Yes, CoreyChem provides custom synthesis services for RefChem:1058457 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.