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5H-Furo[3,2-g][1]benzopyran-5-one,4-methoxy-7-methyl-

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Name

5H-Furo[3,2-g][1]benzopyran-5-one,4-methoxy-7-methyl-

EINECS 201-430-3
CAS No. 82-57-5 Density 1.308 g/cm3
PSA 52.58000 LogP 2.85620
Solubility N/A Melting Point 139-142 °C
Formula C13H10O4 Boiling Point 378.2 °C at 760 mmHg
Molecular Weight 230.22 Flash Point 182.5 °C
Transport Information N/A Appearance beige fine crystalline powder
Safety Risk Codes 22
Molecular Structure Molecular Structure of 82-57-5 (5H-Furo[3,2-g][1]benzopyran-5-one,4-methoxy-7-methyl-) Hazard Symbols HarmfulXn
Synonyms

5-Methoxy-2-methyl-6,7-furanochrome;5-Methoxy-2-methylfuranochromone;Desmethoxykhellin;NSC 100593;Visnagidin;Visnagine;4-Methoxy-7-methyl-5H-furo[3,2-g][1]benzopyran-5-one;Visnagin(6CI);

Article Data 10

5H-Furo[3,2-g][1]benzopyran-5-one,4-methoxy-7-methyl- Specification

The 5H-Furo[3,2-g][1]benzopyran-5-one,4-methoxy-7-methyl-, with the CAS registry number 82-57-5, is also known as 4-Methoxy-7-methyl-5H-furo[3,2-g]chromen-5-one. It belongs to the product category of Chromones. Its EINECS registry number is 201-430-3. This chemical's molecular formula is C13H10O4 and molecular weight is 230.22. What's more, its IUPAC name is called 4-Methoxy-7-methylfuro[3,2-g]chromen-5-one. It is beige fine crystalline powder. And this chemical's classification code is Drug / Therapeutic Agent.

Physical properties about 5H-Furo[3,2-g][1]benzopyran-5-one,4-methoxy-7-methyl- are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.79; (6)ACD/BCF (pH 7.4): 30.79; (7)ACD/KOC (pH 5.5): 404.62; (8)ACD/KOC (pH 7.4): 404.62; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 48.67 Å2; (13)Index of Refraction: 1.613; (14)Molar Refractivity: 61.29 cm3; (15)Molar Volume: 175.9 cm3; (16)Surface Tension: 46.9 dyne/cm; (17)Density: 1.308 g/cm3; (18)Flash Point: 182.5 °C; (19)Enthalpy of Vaporization: 62.61 kJ/mol; (20)Boiling Point: 378.2 °C at 760 mmHg; (21)Vapour Pressure: 6.4E-06 mmHg at 25 °C; (22)Melting Point: 139-142 °C.

Uses of 5H-Furo[3,2-g][1]benzopyran-5-one,4-methoxy-7-methyl-: (1) it is used for relieving spasm and increasing coronary artery blood flow; (2) it is used to produce other chemicals. For example, it is used to produce 4-Hydroxy-7-methyl-furo[3,2-g]chromen-5-one. The reaction occurs with reagent aqueous hydrochloric acid.

5H-Furo[3,2-g][1]benzopyran-5-one,4-methoxy-7-methyl- is used to produce 4-Hydroxy-7-methyl-furo[3,2-g]chromen-5-one.

When you are dealing with this chemical, you should be very careful. This chemical may cause damage to health. What's more, this chemical is harmful if swallowed.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C1/C=C(\Oc3c1c(OC)c2ccoc2c3)C
(2) InChI: InChI=1/C13H10O4/c1-7-5-9(14)12-11(17-7)6-10-8(3-4-16-10)13(12)15-2/h3-6H,1-2H3
(3) InChIKey: NZVQLVGOZRELTG-UHFFFAOYAE

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 123mg/kg (123mg/kg)   Journal of Drug Research. Vol. 7(2), Pg. 1, 1975.
rat LD50 oral 832mg/kg (832mg/kg)   Journal of Drug Research. Vol. 7(2), Pg. 1, 1975.

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