CAS No.480-23-9,3',4',5,7-TETRAHYDROXYISOFLAVONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	480-23-9
Name:	3',4',5,7-TETRAHYDROXYISOFLAVONE
Article Data:	17

Formula:	C₁₅H₁₀O₆
Molecular Weight:	286.241
Synonyms:	5,7-Dihydroxy-3-(3,4-dihydroxyphenyl)-4H-1-benzopyran-4-one;4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(3,4-dihydroxyphenyl)-;Orobol;4H-1-Benzopyran-4-one,3-(3,4-dihydroxyphenyl)- 5,7-dihydroxy-;3',4',5,7-Tetrahydroxyisoflavone;3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one;Isoluteolin;
Density:	1.654 g/cm³
Melting Point:	270 °C
Boiling Point:	616.1 °C at 760 mmHg
Flash Point:	239.5 °C
PSA:	111.13000
LogP:	2.28240

Synthetic route

: 53084-11-0
3-(3,4-dimethoxyphenyl)-5,7-dihydroxy-4H-chromen-4-one

: 480-23-9
orobol

Conditions

Conditions	Yield
With pyridine hydrochloride at 150℃; Inert atmosphere;	70%

: 3-(3',4'-dihydroxyphenyl)-5,7-dimethoxy-4H-chromen-4-one

: 480-23-9
orobol

Conditions

Conditions	Yield
With boron tribromide In dichloromethane at 60℃; for 18h;	10%

: 40316-84-5
3-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one

: 480-23-9
orobol

Conditions

Conditions	Yield
With hydrogen iodide; acetic anhydride at 150℃;

: 66026-81-1
8-(β-D-glucopyranosyl)orobol

: 480-23-9
orobol

Conditions

Conditions	Yield
With hydrogen iodide; phenol Heating;	20 mg

: 118949-94-3
6,8-di-C-β-D-glucopyranosyl-3',4',5,7-tetrahydroxyisoflavone

: 480-23-9
orobol

Conditions

Conditions	Yield
With hydrogen iodide; phenol Heating;	25 mg

: Acetic acid 2-[2-(3,4-dihydroxy-phenyl)-3,3-dimethoxy-propionyl]-3,5-dihydroxy-phenyl ester

: 480-23-9
orobol

Conditions

Conditions	Yield
With hydrogenchloride In methanol for 2h; Heating; Yield given;

: 20486-33-3
3',4',5,7-tetrahydroxyisoflavone β-D-glucopyranoside

: 480-23-9
orobol

Conditions

Conditions	Yield
With trifluoroacetic acid for 2h; Heating;

oroboside: oroboside

: 480-23-9
orobol

Conditions

Conditions	Yield
With emulsin
With sulfuric acid

santal: santal

: 480-23-9
orobol

Conditions

Conditions	Yield
With hydrogen iodide

: 4419-11-8
2,2'-azobis-(2,4-dimethylvaleronitrile)

: 446-72-0
5,7-Dihydroxy-3-(4-hydroxy-phenyl)-chromen-4-on

A: 480-23-9
orobol

B: 2-[1-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)-4-oxo-cyclohexa-2,5-dienylperoxy]-2,4-dimethyl-pentanenitrile

C: 2-[1-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)-4-oxo-cyclohexa-2,5-dienyloxy]-4-hydroperoxy-2,4-dimethyl-pentanenitrile

D: 2-[1-(5,7-dihydroxy-4-oxo-4H-chromen-3-yl)-4-oxo-cyclohexa-2,5-dienylperoxy]-4-hydroperoxy-2,4-dimethyl-pentanenitrile

Conditions

Conditions	Yield
In acetonitrile at 50℃; for 3h; Product distribution; Further Variations:; various reaction time;

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Specification

The CAS registry number of Isoflavone, 3',4',5,7-tetrahydroxy- (7Cl,8Cl is 480-23-9. The IUPAC name is 3-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one. In addition, the molecular formula is C₁₅H₁₀O₆ and the molecular weight is 286.24. It is potent inhibitor of phosphatidylinositol kinase and belongs to the class of Iso-Flavones. Moreover, it comes from Aspergillus niger or Streptomyces neyagawaensis and should be stored in a cool and dry place.

Physical properties about Isoflavone, 3',4',5,7-tetrahydroxy- (7Cl,8Cl) are: (1)ACD/LogP: 2.76; (2)ACD/LogD (pH 5.5): 2.68; (3)ACD/LogD (pH 7.4): 1.4; (4)ACD/BCF (pH 5.5): 61.38; (5)ACD/BCF (pH 7.4): 3.23; (6)ACD/KOC (pH 5.5): 630.61; (7)ACD/KOC (pH 7.4): 33.22; (8)#H bond acceptors: 6; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 63.22 Å²; (12)Index of Refraction: 1.767; (13)Molar Refractivity: 71.73 cm³; (14)Molar Volume: 172.9 cm³; (15)Polarizability: 28.43 ×10^-24cm³; (16)Surface Tension: 92.5 dyne/cm; (17)Density: 1.654 g/cm³; (18)Flash Point: 239.5 °C; (19)Enthalpy of Vaporization: 94.73 kJ/mol; (20)Boiling Point: 616.1 °C at 760 mmHg; (21)Vapour Pressure: 9.03E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1c3c(O/C=C/1c2ccc(O)c(O)c2)cc(O)cc3O
(2)InChI: InChI=1/C15H10O6/c16-8-4-12(19)14-13(5-8)21-6-9(15(14)20)7-1-2-10(17)11(18)3-7/h1-6,16-19H
(3)InChIKey: IOYHCQBYQJQBSK-UHFFFAOYAR

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD	intraperitoneal	> 250mg/kg (250mg/kg)		Journal of Antibiotics. Vol. 28, Pg. 947, 1975.