Furafylline

Base Information

• Chemical Name: Furafylline
• CAS No.: 80288-49-9
• Molecular Formula: C12H12 N4 O3
• Molecular Weight: 260.25
• Hs Code.: 2939590000
• UNII: C2087G0XX3
• DSSTox Substance ID: DTXSID2045153
• Nikkaji Number: J23.259I
• Wikipedia: Furafylline
• Wikidata: Q5509469
• NCI Thesaurus Code: C65779
• Pharos Ligand ID: GR8YTZC5UNX6
• Metabolomics Workbench ID: 71461
• ChEMBL ID: CHEMBL405845
• Mol file: 80288-49-9.mol

Synonyms:1,8-dimethyl-3-(2'-furfuryl)-1H-purine-2,6-dione;furafylline

Chemical Property of Furafylline

Chemical Property:

• Vapor Pressure: 5.16E-11mmHg at 25°C
• Boiling Point: 504.8°C at 760 mmHg
• PKA: 8.62±0.70(Predicted)
• Flash Point: 259.1°C
• PSA: 85.82000
• Density: 1.34g/cm³
• LogP: 0.37300
• Storage Temp.: 2-8°C(protect from light)
• Solubility.: ethanol: 0.33 mg/mL
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 260.09094026
• Heavy Atom Count: 19
• Complexity: 402

Purity/Quality:

98%,99%, ^*data from raw suppliers

Furafylline ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC2=C(N1)C(=O)N(C(=O)N2CC3=CC=CO3)C
• Uses: inhibitor Furafylline is a selective inhibitor of human cytochrome P450. It is also reported to inhibit the oxidation of caffeine.