CAS No.7770-78-7,(-)-Arctigenin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7770-78-7
Name:	(-)-Arctigenin
Article Data:	20

Formula:	C₂₁H₂₄O₆
Molecular Weight:	372.418
Synonyms:	2(3H)-Furanone,4-[(3,4-dimethoxyphenyl)methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-,(3R-trans)-;Arctigenin;
Density:	1.227 g/cm³
Melting Point:	98.0 to 102.0 °C
Boiling Point:	567 °C at 760 mmHg
Flash Point:	198.8 °C
Solubility:	DMSO: 34 mg/mL with heating and sonicating, soluble in water
Safety:	22-24/25
PSA:	74.22000
LogP:	2.99240

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Specification

The 2(3H)-Furanone,4-[(3,4-dimethoxyphenyl)methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-,(3R,4R)-, with CAS registry number 7770-78-7, belongs to the following product categories: (1)Miscellaneous Natural Products; (2)Protein Kinase. It has the systematic name of (3R,4R)-4-(3,4-dimethoxybenzyl)-3-(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one. This chemical should be stored at the temperature of −20°C. When use this chemical, do not breathe dust and avoid contact with skin and eyes.

Physical properties of 2(3H)-Furanone,4-[(3,4-dimethoxyphenyl)methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-,(3R,4R)-: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.47; (4)ACD/LogD (pH 7.4): 2.46; (5)ACD/BCF (pH 5.5): 44.04; (6)ACD/BCF (pH 7.4): 43.94; (7)ACD/KOC (pH 5.5): 522.76; (8)ACD/KOC (pH 7.4): 521.56; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 63.22 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 100.43 cm³; (15)Molar Volume: 303.2 cm³; (16)Polarizability: 39.81×10^-24cm³; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.227 g/cm³; (19)Flash Point: 198.8 °C; (20)Enthalpy of Vaporization: 88.29 kJ/mol; (21)Boiling Point: 567 °C at 760 mmHg; (22)Vapour Pressure: 1.85E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2OC[C@H](Cc1cc(OC)c(OC)cc1)[C@H]2Cc3ccc(O)c(OC)c3
(2)InChI: InChI=1/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
(3)InChIKey: NQWVSMVXKMHKTF-JKSUJKDBBB
(4)Std. InChI: InChI=1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
(5)Std. InChIKey: NQWVSMVXKMHKTF-JKSUJKDBSA-N