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Benzene,1-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxy- (24144-92-1)

Identification
Name:Benzene,1-[(1E)-2-(3,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxy-
Synonyms:Benzene,1-[2-(3,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxy-,(E)-;Stilbene, 2,3',4,5'-tetramethoxy-, (E)- (8CI);1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene;
CAS:24144-92-1
Molecular Formula: C18H20O4
Molecular Weight: 300.35
InChI: InChI=1/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3/b6-5+
Molecular Structure: (C18H20O4) Benzene,1-[2-(3,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxy-,(E)-;Stilbene, 2,3',4,5'-tetramethoxy-, (E...
Properties
Density:1.117g/cm3
Refractive index:1.587
Specification:

The 2,3',4,5'-Tetramethoxystilbene, with cas registry number of 24144-92-1, has the systematic name of 1-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-2,4-dimethoxybenzene. And it belongs to the category of Antitumour. C18H20Ois the chemical's molecular formula.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.49; (4)ACD/LogD (pH 7.4): 4.49; (5)ACD/BCF (pH 5.5): 1535.27; (6)ACD/BCF (pH 7.4): 1535.27; (7)ACD/KOC (pH 5.5): 6641.56; (8)ACD/KOC (pH 7.4): 6641.56; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 36.92Å2; (13)Index of Refraction: 1.587; (14)Molar Refractivity: 90.36 cm3; (15)Molar Volume: 268.6 cm3; (16)Polarizability: 35.82×10-24cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Density: 1.117 g/cm3; (19)Flash Point: 152.3 °C; (20)Enthalpy of Vaporization: 69.29 kJ/mol; (21)Boiling Point: 459.9 °C at 760 mmHg; (22)Vapour Pressure: 3.32E-08 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c2cc(OC)ccc2\C=C\c1cc(OC)cc(OC)c1)C
(2)InChI: InChI=1/C18H20O4/c1-19-15-8-7-14(18(12-15)22-4)6-5-13-9-16(20-2)11-17(10-13)21-3/h5-12H,1-4H3/b6-5+
(3)InChIKey: JDBCWSHYEQUBLW-AATRIKPKBF

Biological Activity: Potent, selective and competitive inhibitor of cytochrome P450 1B1, an enzyme overexpressed in certain tumors (IC 50 = 6 nM). 50- and 520-fold selective over P450 1A1 and 1A2 respectively. Inhibits cancer cell growth in vitro .
Safety Data