CAS No.529-51-1,5-METHOXY-3,3',4',7-TETRAHYDROXYFLAVONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	529-51-1
Name:	5-METHOXY-3,3',4',7-TETRAHYDROXYFLAVONE
Article Data:	10

Formula:	C₁₆H₁₂O₇
Molecular Weight:	316.267
Synonyms:	Flavone,3,3',4',7-tetrahydroxy-5-methoxy- (7CI,8CI);5-O-Methylquercetin;Azaleatin;Quercetin 5-methyl ether;
Density:	1.634 g/cm³
Melting Point:	322℃
Boiling Point:	657.3 °C at 760 mmHg
Flash Point:	250.2 °C
PSA:	120.36000
LogP:	2.29100

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Specification

This chemical is called Azaleatin, and it can also be named as 4H-1-benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-5-methoxy-. With the molecular formula of C₁₆H₁₂O₇, its molecular weight is 316.26. The CAS registry number of this chemical is 529-51-1, and its product category is Flavanols. Additionally, this chemical is an O-methylated flavonol, a type of flavonoid.

Other characteristics of the Azaleatin can be summarised as followings: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.51; (4)ACD/LogD (pH 7.4): 1.61; (5)ACD/BCF (pH 5.5): 46.68; (6)ACD/BCF (pH 7.4): 5.82; (7)ACD/KOC (pH 5.5): 531.64; (8)ACD/KOC (pH 7.4): 66.3; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 72.45 Å²; (13)Index of Refraction: 1.74; (14)Molar Refractivity: 78.11 cm³; (15)Molar Volume: 193.5 cm³; (16)Polarizability: 30.96×10^-24cm³; (17)Surface Tension: 88.3 dyne/cm; (18)Density: 1.634 g/cm³; (19)Flash Point: 250.2 °C; (20)Enthalpy of Vaporization: 101.67 kJ/mol; (21)Boiling Point: 657.3 °C at 760 mmHg; (22)Vapour Pressure: 3.59E-18 mmHg at 25°C.

Production method of this chemical: The Azaleatin could be obtained by the reactant of 2,2-dimethyl-propionic acid 2-[3,4-bis-(2,2-dimethyl-propionyloxy)-phenyl]-7-(2,2-dimethyl-propionyloxy)-5-methoxy-4-oxo-4H-chromen-3-yl ester. This reaction needs the reagent of conc. HCl, and the solvent of methanol. The yield is 97 %. In addition, this reaction should be taken for 2 hours at the temperature of 85 °C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C1c3c(O/C(=C1/O)c2ccc(O)c(O)c2)cc(O)cc3OC
2.InChI: InChI=1/C16H12O7/c1-22-11-5-8(17)6-12-13(11)14(20)15(21)16(23-12)7-2-3-9(18)10(19)4-7/h2-6,17-19,21H,1H3
3.InChIKey: RJBAXROZAXAEEM-UHFFFAOYAA