CAS No.62596-29-6,Morusin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	62596-29-6
Name:	Morusin
Article Data:	3

Formula:	C₂₅H₂₄O₆
Molecular Weight:	420.462
Synonyms:	Mulberrochromene;2-(2,4-Dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-4H,8H-pyrano[2,3-f]chromen-4-one;TCMDC-124149;
EINECS:	300-006-7
Density:	1.303 g/cm³
Melting Point:	232-235ºC
Boiling Point:	656.7 °C at 760 mmHg
Flash Point:	226.9 °C
PSA:	100.13000
LogP:	5.26970

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Specification

The Morusin, with the CAS registry number 62596-29-6, is also known as 4H,8H-Benzo(1,2-b:3,4-b')dipyran-4-one, 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methyl-2-butenyl)-. This chemical's molecular formula is C₂₅H₂₄O₆ and molecular weight is 420.46. What's more, its systematic name is 2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-en-1-yl)-4H,8H-pyrano[2,3-f]chromen-4-one.

Physical properties of Morusin are: (1)ACD/LogP: 6.25; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.21; (4)ACD/LogD (pH 7.4): 5.33; (5)ACD/BCF (pH 5.5): 30281.63; (6)ACD/BCF (pH 7.4): 3955.41; (7)ACD/KOC (pH 5.5): 54733.07; (8)ACD/KOC (pH 7.4): 7149.27; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 63.22 Å²; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 115.67 cm³; (15)Molar Volume: 322.6 cm³; (16)Polarizability: 45.85×10^-24cm³; (17)Surface Tension: 53.7 dyne/cm; (18)Density: 1.303 g/cm³; (19)Flash Point: 226.9 °C; (20)Enthalpy of Vaporization: 100.2 kJ/mol; (21)Boiling Point: 656.7 °C at 760 mmHg; (22)Vapour Pressure: 7.52E-18 mmHg at 25°C.

Uses of Morusin: it can be used to produce 2-(2,4-dihydroxy-phenyl)-5,7-dihydroxy-3-(3-methyl-but-2-enyl)-chromen-4-one by heating. It will need reagent 25% aq. NaOH with the reaction time of 1 hour. The yield is about 59%.

Morusin can be used to produce 2-(2,4-dihydroxy-phenyl)-5,7-dihydroxy-3-(3-methyl-but-2-enyl)-chromen-4-one by heating

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3/C(=C(\Oc2c1\C=C/C(Oc1cc(O)c23)(C)C)c4ccc(O)cc4O)C\C=C(/C)C
(2)Std. InChI: InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3
(3)Std. InChIKey: XFFOMNJIDRDDLQ-UHFFFAOYSA-N