Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
(-)-Arctigenin |
EINECS | N/A |
CAS No. | 7770-78-7 | Density | 1.227 g/cm3 |
PSA | 74.22000 | LogP | 2.99240 |
Solubility | DMSO: 34 mg/mL with heating and sonicating, soluble in water | Melting Point |
98.0 to 102.0 °C |
Formula | C21H24O6 | Boiling Point | 567 °C at 760 mmHg |
Molecular Weight | 372.418 | Flash Point | 198.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 22-24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2(3H)-Furanone,4-[(3,4-dimethoxyphenyl)methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-,(3R-trans)-;Arctigenin; |
Article Data | 20 |
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