CAS No.113963-68-1,Bisindolylmaleimide V Suppliers

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Basic Information

Molecular Structure:
CAS No.:	113963-68-1
Name:	Bisindolylmaleimide V
Article Data:	31

Formula:	C₂₁H₁₅N₃O₂
Molecular Weight:	341.3627
Synonyms:	1-Methyl-3,4-bis(indol-3-yl)maleimide;Bisindolylmaleimide V;N-Methyl-3,4-bis(indol-3-yl)maleimide;N-Methylbis(indol-3-yl)maleimide;Ro 31-6045;
EINECS:	604-604-1
Density:	1.451 g/cm³
Melting Point:	>260 °C
Boiling Point:	655.691 °C at 760 mmHg
Flash Point:	350.349 °C
Solubility:	Soluble in DMSO or methanol; very slightly soluble in 100% ethanol
Appearance:	Red solid.
PSA:	68.96000
LogP:	3.49650

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Specification

The Bisindolylmaleimide V with the CAS number 113963-68-1 is also called 1H-Pyrrole-2,5-dione,3,4-di-1H-indol-3-yl-1-methyl-. The molecular formula is 3,4-bis(1H-indol-3-yl)-1-methylpyrrole-2,5-dione. Its molecular formula is C₂₁H₁₅N₃O₂. This chemical should be stored at −20°C.

The properties of the Bisindolylmaleimide V are: (1)ACD/LogP: 4.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.253; (4)ACD/LogD (pH 7.4): 4.253; (5)ACD/BCF (pH 5.5): 1004.73; (6)ACD/BCF (pH 7.4): 1004.73; (7)ACD/KOC (pH 5.5): 4903.056; (8)ACD/KOC (pH 7.4): 4903.056; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.96 Å²; (13)Index of Refraction: 1.794; (14)Molar Refractivity: 100.018 cm³; (15)Molar Volume: 235.288 cm³; (16)Polarizability: 39.65×10^-24cm³; (17)Surface Tension: 77.287 dyne/cm; (18)Enthalpy of Vaporization: 96.558 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

Preparation: This chemical can be prepared by the reaction of 3,4-dibromo-1-methyl-pyrrole-2,5-dione and 1-indolylmagnesium iodide. This reaction needs reagent Hexamethylphosphorsaeuretriamid and solvent benzene at temperature of 25 °C. The yield is 60%.

Uses: This chemical can prepare 3,4-bis-(1H-indol-3-yl)-furan-2,5-dione. This reaction needs reagent 10 percent aq. potassium hydroxide and solvent acetonitrile at heating condition. The reaction time is 30min. The yield is 80%.

You can still convert the following datas into molecular structure:
(1)SMILES: CN1C(=O)C(=C(C1=O)c2c[nH]c3c2cccc3)c4c[nH]c5c4cccc5
(2)InChI: InChI=1/C21H15N3O2/c1-24-20(25)18(14-10-22-16-8-4-2-6-12(14)16)19(21(24)26)15-11-23-17-9-5-3-7-13(15)17/h2-11,22-23H,1H3
(3)InChIKey: SWAWYMIKGOHZMR-UHFFFAOYAQ