CAS No.862507-23-1,LY2228820 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	862507-23-1
Name:	LY2228820

Formula:	C₂₆H₃₇FN₆O₆S₂
Molecular Weight:	516.64
Synonyms:	5-[2-tert-Butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-amine methanesulfonate (1:2);
Boiling Point:	634.4 °C at 760 mmHg
Flash Point:	337.5 °C
PSA:	211.64000
LogP:	6.65300

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Specification

The 3H-Imidazo[4,5-b]pyridin-2-amine, 5-[2-(1,1-dimethylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-, methanesulfonate (1:2) has the CAS registry number 862507-23-1. This chemical's molecular formula is C₂₆H₃₇FN₆O₆S₂ and molecular weight is 612.22. What's more, its systematic name is 5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-3H-imidazo[4,5-b]pyridin-2-amine methanesulfonate (1:2).

Physical properties of 3H-Imidazo[4,5-b]pyridin-2-amine, 5-[2-(1,1-dimethylethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)-, methanesulfonate (1:2) are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 51.77 Å²; (7)Flash Point: 337.5 °C; (8)Enthalpy of Vaporization: 93.77 kJ/mol; (9)Boiling Point: 634.4 °C at 760 mmHg; (10)Vapour Pressure: 5.32E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(O)C.O=S(=O)(O)C.Fc4ccc(c3nc(nc3c2nc1c(nc(N)n1CC(C)(C)C)cc2)C(C)(C)C)cc4
(2)Std. InChI: InChI=1S/C24H29FN6.2CH4O3S/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6;2*1-5(2,3)4/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30);2*1H3,(H,2,3,4)
(3)Std. InChIKey: NARMJPIBAXVUIE-UHFFFAOYSA-N