CAS No.21392-57-4,5,7-DIMETHOXYFLAVONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	21392-57-4
Name:	5,7-DIMETHOXYFLAVONE
Article Data:	57

Formula:	C₁₇H₁₄O₄
Molecular Weight:	282.296
Synonyms:	Flavone,5,7-dimethoxy- (7CI,8CI);5,7-Dimethoxy-2-phenyl-4H-chromen-4-one;5,7-Dimethoxy-4-oxo-2-phenyl-4H-1-benzopyran;5,7-Dimethoxyflavone;Chrysindimethyl ether;
Density:	1.242 g/cm³
Melting Point:	150-152°C
Boiling Point:	476.6 °C at 760 mmHg
Flash Point:	213.4 °C
Appearance:	white crystals
PSA:	48.67000
LogP:	3.47720

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Specification

The 4H-1-Benzopyran-4-one,5,7-dimethoxy-2-phenyl-, with CAS registry number 21392-57-4, belongs to the following product categories: (1)Di-substituted Flavones; (2)Mono-substituted Flavones. It has the systematic name of 5,7-dimethoxy-2-phenyl-4H-chromen-4-one. And the chemical formula of this chemical is C₁₇H₁₄O₄.

Physical properties of 4H-1-Benzopyran-4-one,5,7-dimethoxy-2-phenyl-: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.27; (4)ACD/LogD (pH 7.4): 3.27; (5)ACD/BCF (pH 5.5): 178.74; (6)ACD/BCF (pH 7.4): 178.74; (7)ACD/KOC (pH 5.5): 1424.75; (8)ACD/KOC (pH 7.4): 1424.75; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 77.56 cm³; (15)Molar Volume: 227.2 cm³; (16)Polarizability: 30.74×10^-24cm³; (17)Surface Tension: 46.3 dyne/cm; (18)Density: 1.242 g/cm³; (19)Flash Point: 213.4 °C; (20)Enthalpy of Vaporization: 74.03 kJ/mol; (21)Boiling Point: 476.6 °C at 760 mmHg; (22)Vapour Pressure: 3.01E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-(2-hydroxy-4,6-dimethoxy-phenyl)-3-phenyl-propane-1,3-dione. This reaction will need reagents acetic acid, aqueous hydrochloric acid.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c3c(O/C(=C/1)c2ccccc2)cc(OC)cc3OC
(2)InChI: InChI=1/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
(3)InChIKey: JRFZSUMZAUHNSL-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C17H14O4/c1-19-12-8-15(20-2)17-13(18)10-14(21-16(17)9-12)11-6-4-3-5-7-11/h3-10H,1-2H3
(5)Std. InChIKey: JRFZSUMZAUHNSL-UHFFFAOYSA-N