RefChem:1058459
TL;DR: RefChem:1058459 (CAS 151539-50-3) is a chemical compound with molecular formula C21H25BrN4O3 and molecular weight 460.111 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]-7-methyl-1,3-dipropylpurine-2,6-dione
Also Known As: (E)-8-(3-Bromo-4-methoxystyryl)-7-methyl-1,3-dipropylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3-bromo-4-methoxyphenyl)ethenyl)-1,3-dipropyl-7-methyl-, (E)-, 8-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione, 1H-Purine-2,6-dione, 8-(2-(3-bromo-4-methoxyphenyl)ethenyl)-3,7-dihydro-7-methyl-1,3-dipropyl-, (E)-, 1H-Purine-2,6-dione, 8-[2-(3-bromo-4-methoxyphenyl)ethenyl]-3,7-dihydro-7-methyl-1,3-dipropyl-, (E)-
Technical Specifications
| Molecular Formula | C21H25BrN4O3 |
| Molecular Weight | 460.111 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 460.111 Da |
| Heavy Atoms | 29 |
| Complexity | 631.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=C(C=C3)OC)Br)C |
| InChIKey | OXBSWNUXZWSGFG-CSKARUKUSA-N |
Chemical Property Profile of RefChem:1058459
Property Insights of RefChem:1058459
The XLogP value of 4.3 indicates that RefChem:1058459 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1058459. Following Lipinski's Rule of Five, RefChem:1058459 has 0 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:1058459?
The CAS number of RefChem:1058459 is 151539-50-3.
What is the molecular formula of RefChem:1058459?
The molecular formula of RefChem:1058459 is C21H25BrN4O3.
What is the molecular weight of RefChem:1058459?
The molecular weight of RefChem:1058459 is 460.111 g/mol.
Where can I buy RefChem:1058459?
You can request a quote for RefChem:1058459 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058459?
Yes, CoreyChem provides custom synthesis services for RefChem:1058459 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.