CAS No.220904-83-6,GW5074 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	220904-83-6
Name:	GW5074
Article Data:	3

Formula:	C₁₅H₈Br₂INO₂
Molecular Weight:	520.947
Synonyms:	(3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1,3-dihydro-2H-indol-2-one;5-Iodo-3-((3, 5-dibromo-4-hydroxyphenyl)methylene)-2-indolinone;
Density:	2.248 g/cm³
Boiling Point:	561.4 °C at 760 mmHg
Flash Point:	293.3 °C
Solubility:	soluble in DMSO
Appearance:	solid
PSA:	49.33000
LogP:	5.15250

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Specification

The 2H-Indol-2-one, 3-[(3, 5-dibromo-4-hydroxyphenyl)methylene]-1, 3-dihydro-5-iodo-, with the CAS registry number of 220904-83-6, is also known as 5-Iodo-3-((3, 5-dibromo-4-hydroxyphenyl)methylene)-2-indolinone. This chemical's molecular formula is C₁₅H₈Br₂INO₂ and molecular weight is 520.94. What's more, its systematic name is (3E)-3-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-5-iodo-1,3-dihydro-2H-indol-2-one. Besides, this chemical should be stored at the temperature of -20 °C. And it is soluble in DMSO. In addition, it is potent, selective and cell-permeable c-Raf1 kinase inhibitor.

Physical properties about 2H-Indol-2-one, 3-[(3, 5-dibromo-4-hydroxyphenyl)methylene]-1, 3-dihydro-5-iodo- are: (1)ACD/LogP: 6.36; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 6.27; (4)ACD/LogD (pH 7.4): 5.08; (5)ACD/BCF (pH 5.5): 32472.67; (6)ACD/BCF (pH 7.4): 2110.91; (7)ACD/KOC (pH 5.5): 55663.15; (8)ACD/KOC (pH 7.4): 3618.43; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.789; (14)Molar Refractivity: 98.1 cm³; (15)Molar Volume: 231.7 cm³; (16)Polarizability: 38.89×10^-24 cm³; (17)Surface Tension: 71.9 dyne/cm; (18)Density: 2.248 g/cm³; (19)Flash Point: 293.3 °C; (20)Enthalpy of Vaporization: 87.57 kJ/mol; (21)Boiling Point: 561.4 °C at 760 mmHg; (22)Vapour Pressure: 3.29E-13 mmHg at 25 °C.

You can still convert the following data into molecular structure:
(1) SMILES: Brc1cc(cc(Br)c1O)\C=C3/c2cc(I)ccc2NC3=O
(2) InChI: InChI=1/C15H8Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,20H,(H,19,21)/b10-3+
(3) InChIKey: LMXYVLFTZRPNRV-XCVCLJGOBE