CAS No.475110-96-4,ZSTK474 Suppliers

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Molecular Structure:
CAS No.:	475110-96-4
Name:	ZSTK474
Article Data:	8

Formula:	C₁₉H₂₁F₂N₇O₂
Molecular Weight:	417.418
Synonyms:	2-(2-Difluoromethylbenzimidazol-1-yl)-4,6-bis(morpholino)-1,3,5-triazine;
Density:	1.571 g/cm³
Boiling Point:	640.267 °C at 760 mmHg
Flash Point:	341.021 °C
Appearance:	white powder
PSA:	81.43000
LogP:	1.95130

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Specification

The 2-(2-Difluoromethylbenzimidazol-1-yl)-4,6-dimorpholino-1,3,5-triazine is an organic compound with the formula C₁₉H₂₁F₂N₇O₂. The systematic name of this chemical is 2-(difluoromethyl)-1-[4,6-di(morpholin-4-yl)-1,3,5-triazin-2-yl]-1H-benzimidazole. With the CAS registry number 475110-96-4, it is also named as TCMDC-137004. It is white powder which should be stored at the temperature of -20 °C.

The other characteristics of 2-(2-Difluoromethylbenzimidazol-1-yl)-4,6-dimorpholino-1,3,5-triazine can be summarized as: (1)ACD/LogP: 1.48; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 17; (6)ACD/KOC (pH 7.4): 18; (7)#H bond acceptors: 9; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 81.43 Å²; (11)Index of Refraction: 1.711; (12)Molar Refractivity: 103.969 cm³; (13)Molar Volume: 265.688 cm³; (14)Polarizability: 41.217×10^-24 cm³; (15)Surface Tension: 58.272 dyne/cm; (16)Density: 1.571 g/cm³; (17)Flash Point: 341.021 °C; (18)Enthalpy of Vaporization: 94.531 kJ/mol; (19)Boiling Point: 640.267 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)c2nc1ccccc1n2c3nc(nc(n3)N4CCOCC4)N5CCOCC5
2. InChI:InChI=1/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2