RefChem:1058384
TL;DR: RefChem:1058384 (CAS 151539-61-6) is a chemical compound with molecular formula C20H22N4O4 and molecular weight 382.1641 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
Also Known As: 2-Bromo-4,5-dimethoxycinnamic acid, (E)-8-(3,4-Methylenedioxystyryl)-1,3-dipropylxanthine hydrate, (E)-8-(3,4-Methylenedioxystyryl)-1,3-dipropylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(1,3-benzodioxol-5-yl)ethenyl)-1,3-dipropyl-, (E)-, hydrate, 8-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C20H22N4O4 |
| Molecular Weight | 382.1641 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 87.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.1641 Da |
| Heavy Atoms | 28 |
| Complexity | 627.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)/C=C/C3=CC4=C(C=C3)OCO4 |
| InChIKey | ROSVNDDXKKNTFG-SOFGYWHQSA-N |
Chemical Property Profile of RefChem:1058384
Property Insights of RefChem:1058384
The XLogP value of 3.5 indicates that RefChem:1058384 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:1058384. Following Lipinski's Rule of Five, RefChem:1058384 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:1058384?
The CAS number of RefChem:1058384 is 151539-61-6.
What is the molecular formula of RefChem:1058384?
The molecular formula of RefChem:1058384 is C20H22N4O4.
What is the molecular weight of RefChem:1058384?
The molecular weight of RefChem:1058384 is 382.1641 g/mol.
Where can I buy RefChem:1058384?
You can request a quote for RefChem:1058384 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058384?
Yes, CoreyChem provides custom synthesis services for RefChem:1058384 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.