RefChem:1058402
TL;DR: RefChem:1058402 (CAS 151539-51-4) is a chemical compound with molecular formula C21H25BrN4O4 and molecular weight 476.10593 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]-1,3-dipropyl-7H-purine-2,6-dione
Also Known As: (E)-8-(2-Bromo-4,5-dimethoxystyryl)-1,3-dipropylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(2-bromo-4,5-dimethoxyphenyl)ethenyl)-1,3-dipropyl, (E)-, 8-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C21H25BrN4O4 |
| Molecular Weight | 476.10593 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 87.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.10593 Da |
| Heavy Atoms | 30 |
| Complexity | 648.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)/C=C/C3=CC(=C(C=C3Br)OC)OC |
| InChIKey | CKBRAGQBHPLRNS-BQYQJAHWSA-N |
Chemical Property Profile of RefChem:1058402
Property Insights of RefChem:1058402
The XLogP value of 4.3 indicates that RefChem:1058402 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058402. Following Lipinski's Rule of Five, RefChem:1058402 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:1058402?
The CAS number of RefChem:1058402 is 151539-51-4.
What is the molecular formula of RefChem:1058402?
The molecular formula of RefChem:1058402 is C21H25BrN4O4.
What is the molecular weight of RefChem:1058402?
The molecular weight of RefChem:1058402 is 476.10593 g/mol.
Where can I buy RefChem:1058402?
You can request a quote for RefChem:1058402 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058402?
Yes, CoreyChem provides custom synthesis services for RefChem:1058402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.