CAS No.280744-09-4,SB216763 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	280744-09-4
Name:	SB216763

Formula:	C₁₉H₁₂Cl₂N₂O₂
Molecular Weight:	371.22
Synonyms:	SB 216763;3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione;
Density:	1.472 g/cm³
Melting Point:	287-288.6 °C(lit.)
Boiling Point:	598.092 °C at 760 mmHg
Flash Point:	315.515 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36
PSA:	51.10000
LogP:	4.38110

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Specification

The 3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione with cas registry number of 280744-09-4, belongs to the following product categories: (1)Protein Kinase; (2)Signalling. Its systematic name and IUPAC name is of 3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione.

Physical properties about this chemical are: (1)ACD/LogP: 4.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.78; (4)ACD/LogD (pH 7.4): 4.42; (5)ACD/BCF (pH 5.5): 2535.4; (6)ACD/BCF (pH 7.4): 1106.7; (7)ACD/KOC (pH 5.5): 9465.33; (8)ACD/KOC (pH 7.4): 4131.62; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.31 Å²; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 97.64 cm³; (15)Molar Volume: 252.1 cm³; (16)Polarizability: 38.7×10^-24cm³; (17)Surface Tension: 54.1 dyne/cm; (18)Enthalpy of Vaporization: 89.07 kJ/mol; (19)Vapour Pressure: 2.88E-14 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(c(Cl)c1)C=4C(=O)NC(=O)C=4c3c2ccccc2n(c3)C;
(2)InChI: InChI=1/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25);
(3)InChIKey: JCSGFHVFHSKIJH-UHFFFAOYAR;
(4)Std. InChI: InChI=1S/C19H12Cl2N2O2/c1-23-9-13(11-4-2-3-5-15(11)23)17-16(18(24)22-19(17)25)12-7-6-10(20)8-14(12)21/h2-9H,1H3,(H,22,24,25);
(5)Std. InChIKey: JCSGFHVFHSKIJH-UHFFFAOYSA-N