Isochandalone

Base Information

• Chemical Name: Isochandalone
• CAS No.: 121747-90-8
• Molecular Formula: C25H24 O5
• Molecular Weight: 404.46
• ChEMBL ID: CHEMBL460441
• DSSTox Substance ID: DTXSID401317484
• Metabolomics Workbench ID: 22346
• Nikkaji Number: J398.730B
• Wikidata: Q72485170
• Mol file: 121747-90-8.mol

Synonyms:Isochandalone;121747-90-8;3-(2,2-dimethylchromen-6-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one;5,7-Dihydroxy-6-prenyl-6'',6''-dimethylpyrano[2'',3'':4',3']isoflavone;isochandalon;CHEMBL460441;DTXSID401317484;HY-N3496;LMPK12050209;AKOS040761875;FS-9427;CS-0024382;4H-1-Benzopyran-4-one, 3-(2,2-dimethyl-2H-1-benzopyran-6-yl)-5,7-dihydroxy-6-(3-methyl-2-buten-1-yl)-

Chemical Property of Isochandalone

Chemical Property:

• Boiling Point: 607.7±55.0 °C(Predicted)
• PKA: 7.00±0.20(Predicted)
• PSA: 79.90000
• Density: 1.258±0.06 g/cm3(Predicted)
• LogP: 5.56410
• XLogP3: 5.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 404.16237386
• Heavy Atom Count: 30
• Complexity: 760

Purity/Quality:

Analysis control,HPLC≥95% ^*data from raw suppliers

Isochandalone 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC4=C(C=C3)OC(C=C4)(C)C)O)C