CAS No.1138549-36-6,CX-5461 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1138549-36-6
Name:	CX-5461
Article Data:	4

Formula:	C₂₇H₂₇N₇O₂S
Molecular Weight:	513.623
Synonyms:	CX-5461;2-(4-Methyl-1,4-diazepan-1-yl)-N-((5-Methylpyrazin-2-yl)Methyl)-5-oxo-5H-benzo[4,5]thiazolo[3,2-a][1,8]naphthyridine-6-carboxaMide
Density:	1.5±0.1 g/cm³
Boiling Point:	739.9±60.0 °C at 760 mmHg
Flash Point:	401.3±32.9 °C
PSA:	123.97000
LogP:	3.62650

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Specification

The CAS registry number of CX-5461 is 1138549-36-6. This chemical's molecular formula is C₂₇H₂₇N₇O₂S and molecular weight is 513.19. What's more, its systematic name is called 2-(4-Methyl-1,4-diazepan-1-yl)-N-[(5-methylpyrazin-2-yl)methyl]-5-oxo-[1,3]benzothiazolo[3,2-a][1,8]naphthyridine-6-carboxamide.

Physical properties about CX-5461 are: (1)ACD/LogP: -0.81±1.49; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.53; (4)ACD/LogD (pH 7.4): -1.93; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 9; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 119.86 Å²; (13)Index of Refraction: 1.74; (14)Molar Refractivity: 142.0±0.4 cm³; (15)Molar Volume: 352.0±5.0 cm³; (16)Surface Tension: 86.5±5.0 dyne/cm; (17)Density: 1.5±0.1 g/cm³; (18)Flash Point: 401.3±32.9 °C; (19)Enthalpy of Vaporization: 107.9±3.0 kJ/mol; (20)Boiling Point: 739.9±60.0 °C at 760 mmHg; (21)Vapour Pressure: 0.0±2.4 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1cnc(cn1)CNC(=O)c2c(=O)c3ccc(nc3n4c2sc5c4cccc5)N6CCCN(CC6)C
(2) InChI: InChI=1S/C27H27N7O2S/c1-17-14-29-18(15-28-17)16-30-26(36)23-24(35)19-8-9-22(33-11-5-10-32(2)12-13-33)31-25(19)34-20-6-3-4-7-21(20)37-27(23)34/h3-4,6-9,14-15H,5,10-13,16H2,1-2H3,(H,30,36)
(3) InChIKey: XGPBJCHFROADCK-UHFFFAOYSA-N