RefChem:1058428
TL;DR: RefChem:1058428 (CAS 151539-48-9) is a chemical compound with molecular formula C20H23BrN4O3 and molecular weight 446.09534 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
Also Known As: (E)-8-(3-Bromo-4-methoxystyryl)-1,3-dipropylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromo-4-methoxyphenyl)ethenyl)-1,3-dipropyl-, (E)-, (E)-8-(2-(3-Bromo-4-methoxyphenyl)ethenyl)-1,3-dipropyl-3,7-dihydro-1H-purine-2,6-dione, 8-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C20H23BrN4O3 |
| Molecular Weight | 446.09534 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 446.09534 Da |
| Heavy Atoms | 28 |
| Complexity | 602.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)/C=C/C3=CC(=C(C=C3)OC)Br |
| InChIKey | ZHAMJBDOFNMBFM-VQHVLOKHSA-N |
Chemical Property Profile of RefChem:1058428
Property Insights of RefChem:1058428
The XLogP value of 4.4 indicates that RefChem:1058428 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058428. Following Lipinski's Rule of Five, RefChem:1058428 has 1 hydrogen bond donor(s) and 4 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:1058428?
The CAS number of RefChem:1058428 is 151539-48-9.
What is the molecular formula of RefChem:1058428?
The molecular formula of RefChem:1058428 is C20H23BrN4O3.
What is the molecular weight of RefChem:1058428?
The molecular weight of RefChem:1058428 is 446.09534 g/mol.
Where can I buy RefChem:1058428?
You can request a quote for RefChem:1058428 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058428?
Yes, CoreyChem provides custom synthesis services for RefChem:1058428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.