CAS No.1229236-86-5,LY 2784544 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1229236-86-5
Name:	LY 2784544
Article Data:	2

Formula:	C₂₃H₂₅ClFN₇O
Molecular Weight:	469.949
Synonyms:	LY 2784544;3-[(4-Chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine;3-(4-chloro-2-fluorobenzyl)-2-Methyl-N-(3-Methyl-1H-pyrazol-5-yl)-8-(MorpholinoMethyl)iMidazo[1,2-b]pyridazin-6-aMine
Density:	1.459 g/cm³
PSA:	86.60000
LogP:	3.38810

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Specification

The CAS registry number of LY 2784544 is 1229236-86-5. The IUPAC name is 3-[(4-chloro-2-fluoro-phenyl)methyl]-2-methyl-N-(3-methyl-1H-pyrazol-5-yl)-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-amine. In addition, the molecular formula is C₂₃H₂₅ClFN₇O and the molecular weight is 469.94.

Physical properties about LY 2784544 are: (1)ACD/LogP: 3.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.408; (4)ACD/LogD (pH 7.4): 3.188; (5)ACD/BCF (pH 5.5): 25.487; (6)ACD/BCF (pH 7.4): 153.454; (7)ACD/KOC (pH 5.5): 208.347; (8)ACD/KOC (pH 7.4): 1254.427; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 83.37 Å²; (13)Index of Refraction: 1.7; (14)Molar Refractivity: 124.474 cm³; (15)Molar Volume: 322.004 cm³; (16)Polarizability: 49.345 ×10^-24cm³; (17)Surface Tension: 52.953 dyne/cm; (18)Density: 1.459 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc([nH]n1)Nc2cc(c3nc(c(n3n2)Cc4ccc(cc4F)Cl)C)CN5CCOCC5
(2)InChI: InChI=1/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)
(3)InChIKey: SQSZANZGUXWJEA-UHFFFAOYAQ