Furostilbestrol

Base Information

• Chemical Name: Furostilbestrol
• CAS No.: 549-40-6
• Molecular Formula: C28H24O6
• Molecular Weight: 456.492
• European Community (EC) Number: 208-965-1
• UNII: JN9M0YN4VL
• Nikkaji Number: J10.590B
• Wikipedia: Furostilbestrol
• NCI Thesaurus Code: C65790
• ChEMBL ID: CHEMBL2105117
• Mol file: 549-40-6.mol

Synonyms:Furostilbestrol;549-40-6;Furostilbestrolum;Furostilboestrolum;UNII-JN9M0YN4VL;JN9M0YN4VL;Furostilbestrol [INN:DCF];Furostilbestrolum [INN-Latin];EINECS 208-965-1;[4-[(E)-4-[4-(furan-2-carbonyloxy)phenyl]hex-3-en-3-yl]phenyl] furan-2-carboxylate;alpha,alpha'-Diethyl-4,4'-stilbenediol di-2-furoate;Furostilbestrol [DCF:INN];FUROSTILBESTROL [INN];SCHEMBL2109382;CHEMBL2105117;C28-H24-O6;Q27281593;.ALPHA.,.ALPHA.'-DIETHYL-4,4'-STILBENEDIOL DI-2-FUROATE

Chemical Property of Furostilbestrol

Chemical Property:

• Vapor Pressure: 1.74E-13mmHg at 25°C
• Boiling Point: 580.9°C at 760 mmHg
• Flash Point: 305.1°C
• PSA: 78.88000
• Density: 1.208g/cm³
• LogP: 7.04180
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 456.15728848
• Heavy Atom Count: 34
• Complexity: 654

Purity/Quality:

99% ^*data from raw suppliers

FUROSTILBESTROL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=C(CC)C1=CC=C(C=C1)OC(=O)C2=CC=CO2)C3=CC=C(C=C3)OC(=O)C4=CC=CO4
• Isomeric SMILES: CC/C(=C(/CC)\C1=CC=C(C=C1)OC(=O)C2=CC=CO2)/C3=CC=C(C=C3)OC(=O)C4=CC=CO4