(E)-1,3-Diethyl-8-(3-hydroxy-4-methoxystyryl)-7-methylxanthine

Base Information

• Chemical Name: (E)-1,3-Diethyl-8-(3-hydroxy-4-methoxystyryl)-7-methylxanthine
• CAS No.: 155272-04-1
• Molecular Formula: C19H22 N4 O4
• Molecular Weight: 370.4
• Wikidata: Q76389512
• Mol file: 155272-04-1.mol

Synonyms:155272-04-1;(E)-1,3-Diethyl-8-(3-hydroxy-4-methoxystyryl)-7-methylxanthine;1,3-diethyl-8-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]-7-methylpurine-2,6-dione;1H-Purine-2,6-dione, 3,7-dihydro-1,3-diethyl-8-(2-(3-hydroxy-4-methoxyphenyl)ethenyl)-7-methyl-, (E)-;3-Desmethyl Istradefylline;SCHEMBL7305359;SCHEMBL7305368;LS-126732

Chemical Property of (E)-1,3-Diethyl-8-(3-hydroxy-4-methoxystyryl)-7-methylxanthine

Chemical Property:

• Vapor Pressure: 1.6E-16mmHg at 25°C
• Boiling Point: 631.1°Cat760mmHg
• Flash Point: 335.5°C
• PSA: 91.28000
• Density: 1.3g/cm³
• LogP: 1.82110
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 370.16410520
• Heavy Atom Count: 27
• Complexity: 598

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)C=CC3=CC(=C(C=C3)OC)O)C
• Isomeric SMILES: CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)/C=C/C3=CC(=C(C=C3)OC)O)C