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5,7-Diacetoxyflavone

CAT: 0804-HY-N2659Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-N2659Size:1 Each
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Description
5,7-Diacetoxyflavone (compound 1b) is a flavonoid[1].
CAS Number
6665-78-7
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Others
Type
Natural Products
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/5-7-diacetoxyflavone.html
Solubility
10 mM in DMSO
Smiles
O=C1C=C(C2=CC=CC=C2)OC3=CC(OC(C)=O)=CC(OC(C)=O)=C13
Molecular Formula
C19H14O6
Molecular Weight
338.31
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]P.L. Majumder, et al. Bulbophyllanthrone, a phenanthraquinone from Bulbophyllum odoratissimum. Phytochemistry, Volume 30, Issue 6, 1991, Pages 2092-2094.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

5,7-Diacetoxyflavone
CAS Number6665-78-7
PubChem CID467492
IUPAC Name(5-acetyloxy-4-oxo-2-phenylchromen-7-yl) acetate
Molecular FormulaC19H14O6
Molecular Weight338.3
XLogP1.8
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity574
SMILES
CC(=O)OC1=CC2=C(C(=C1)OC(=O)C)C(=O)C=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C19H14O6/c1-11(20)23-14-8-17(24-12(2)21)19-15(22)10-16(25-18(19)9-14)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKey
FAVULDRRJPCIGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,7-Diacetoxyflavone
CAS: 6665-78-7
CID: 467492
Formula: C19H14O6
MW: 338.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight338.3
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass338.07903816
Monoisotopic Mass338.07903816
Topological Polar Surface Area78.9 Ų
Heavy Atom Count25
Formal Charge0
Complexity574
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes