RefChem:1058358
TL;DR: RefChem:1058358 (CAS 141807-94-5) is a chemical compound with molecular formula C21H26N4O3 and molecular weight 382.2005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Also Known As: (E)-8-(4-Methoxystyryl)-7-methyl-1,3-dipropylxanthine, 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dipropyl-8-(2-(4-methoxyphenyl)ethenyl)-7-methyl-, (E)-, (E)-1,3-Dipropyl-8-(2-(4-methoxyphenyl)ethenyl)-7-methyl-3,7-dihydro-1H-purine-2,6-dione, 7-Methyl-1,3-dipropyl-8-[(E)-2-(4-methoxyphenyl)ethenyl]xanthine, 8-[(E)-2-(4-methoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione
Technical Specifications
| Molecular Formula | C21H26N4O3 |
| Molecular Weight | 382.2005 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.2005 Da |
| Heavy Atoms | 28 |
| Complexity | 588.0 |
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC=C(C=C3)OC)C |
| InChIKey | YADAAFDDAMXDEJ-FMIVXFBMSA-N |
Chemical Property Profile of RefChem:1058358
Property Insights of RefChem:1058358
The XLogP value of 3.6 indicates that RefChem:1058358 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:1058358. Following Lipinski's Rule of Five, RefChem:1058358 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:1058358?
The CAS number of RefChem:1058358 is 141807-94-5.
What is the molecular formula of RefChem:1058358?
The molecular formula of RefChem:1058358 is C21H26N4O3.
What is the molecular weight of RefChem:1058358?
The molecular weight of RefChem:1058358 is 382.2005 g/mol.
Where can I buy RefChem:1058358?
You can request a quote for RefChem:1058358 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1058358?
Yes, CoreyChem provides custom synthesis services for RefChem:1058358 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.