RefChem:1058412
TL;DR: RefChem:1058412 (CAS 155814-27-0) is a chemical compound with molecular formula C21H22N4O4 and molecular weight 394.1641 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-bis(prop-2-enyl)-7H-purine-2,6-dione
Also Known As: 4-Hydroxy -6-isopropylquinoline, (E)-1,3-Diallyl-8-(3,4-dimethoxystyryl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(3,4-dimethoxyphenyl)ethenyl)-1,3-di-2-propenyl-, (E)-, (E)-8-(2-(3,4-Dimethoxyphenyl)ethenyl)-1,3-di-2-propenyl-3,7-dihydro-1H-purine-2,6-dione, 8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,3-bis(prop-2-enyl)-7H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C21H22N4O4 |
| Molecular Weight | 394.1641 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 87.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 394.1641 Da |
| Heavy Atoms | 29 |
| Complexity | 667.0 |
| SMILES | COC1=C(C=C(C=C1)/C=C/C2=NC3=C(N2)C(=O)N(C(=O)N3CC=C)CC=C)OC |
| InChIKey | CPKFTMZBSCSJGD-CSKARUKUSA-N |
Chemical Property Profile of RefChem:1058412
Property Insights of RefChem:1058412
The XLogP value of 3.2 indicates that RefChem:1058412 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:1058412. Following Lipinski's Rule of Five, RefChem:1058412 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:1058412?
The CAS number of RefChem:1058412 is 155814-27-0.
What is the molecular formula of RefChem:1058412?
The molecular formula of RefChem:1058412 is C21H22N4O4.
What is the molecular weight of RefChem:1058412?
The molecular weight of RefChem:1058412 is 394.1641 g/mol.
Where can I buy RefChem:1058412?
You can request a quote for RefChem:1058412 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058412?
Yes, CoreyChem provides custom synthesis services for RefChem:1058412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.