Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
CX-5461 |
EINECS | N/A |
CAS No. | 1138549-36-6 | Density | 1.5±0.1 g/cm3 |
PSA | 123.97000 | LogP | 3.62650 |
Solubility | N/A | Melting Point |
N/A |
Formula | C27H27N7O2S | Boiling Point | 739.9±60.0 °C at 760 mmHg |
Molecular Weight | 513.623 | Flash Point | 401.3±32.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
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 |
Article Data | 4 |
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