RefChem:1058309
TL;DR: RefChem:1058309 (CAS 155814-35-0) is a chemical compound with molecular formula C23H22N4O3 and molecular weight 402.1692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-diethyl-8-[(E)-2-(3-phenoxyphenyl)ethenyl]-7H-purine-2,6-dione
Also Known As: (E)-1,3-Diethyl-8-(3-phenoxystyryl)xanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-phenoxyphenyl)ethenyl)-, (E)-, (E)-1,3-Diethyl-8-(2-(3-phenoxyphenyl)ethenyl)-3,7-dihydro-1H-purine-2,6-dione, 1,3-diethyl-8-[(E)-2-(3-phenoxyphenyl)ethenyl]-7H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C23H22N4O3 |
| Molecular Weight | 402.1692 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.1692 Da |
| Heavy Atoms | 30 |
| Complexity | 648.0 |
| SMILES | CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC(=CC=C3)OC4=CC=CC=C4 |
| InChIKey | BQXHAENPWKQCCC-BUHFOSPRSA-N |
Chemical Property Profile of RefChem:1058309
Property Insights of RefChem:1058309
The XLogP value of 5.1 indicates that RefChem:1058309 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:1058309. Following Lipinski's Rule of Five, RefChem:1058309 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1058309?
The CAS number of RefChem:1058309 is 155814-35-0.
What is the molecular formula of RefChem:1058309?
The molecular formula of RefChem:1058309 is C23H22N4O3.
What is the molecular weight of RefChem:1058309?
The molecular weight of RefChem:1058309 is 402.1692 g/mol.
Where can I buy RefChem:1058309?
You can request a quote for RefChem:1058309 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058309?
Yes, CoreyChem provides custom synthesis services for RefChem:1058309 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.