VX-745 supplier | CasNO.209410-46-8

Name
VX-745
EINECS
CAS No. 209410-46-8
Density 1.55g/cm³
Solubility
Melting Point 261-264 °C
Formula C₁₉H₉Cl₂F₂N₃OS
Boiling Point 578.9 °C at 760 mmHg
Molecular Weight 436.26
Flash Point 303.9 °C
Transport Information
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Risk Codes
Molecular Structure
Hazard Symbols
Synonyms VX 745;5-(2,6-Dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6H-pyrimido[1,6-b]pyridazin-6-one;5-(2,6-Dichlorophenyl)-2-(2,4-difluorophenyl)sulfanylpyridazino[6,1-f]pyrimidin-6-one;
PSA 72.56000
LogP 5.49270

VX-745 Specification

The 5-(2,6-Dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6H-pyrimido[1,6-b]pyridazin-6-one with the CAS number 209410-46-8 is also called 6H-Pyrimido[1,6-b]pyridazin-6-one,5-(2,6-dichlorophenyl)-2-[(2,4-difluorophenyl)thio]-. Its molecular formula is C₁₉H₉Cl₂F₂N₃OS. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 5-(2,6-Dichlorophenyl)-2-((2,4-difluorophenyl)thio)-6H-pyrimido[1,6-b]pyridazin-6-one are: (1)ACD/LogP: 4.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.79; (4)ACD/LogD (pH 7.4): 4.79; (5)ACD/BCF (pH 5.5): 2585.33; (6)ACD/BCF (pH 7.4): 2585.33; (7)ACD/KOC (pH 5.5): 9644.4; (8)ACD/KOC (pH 7.4): 9644.4; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 70.33 Å²; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 107.58 cm³; (15)Molar Volume: 280.6 cm³; (16)Polarizability: 42.64×10^-24cm³; (17)Surface Tension: 52.5 dyne/cm; (18)Enthalpy of Vaporization: 86.63 kJ/mol; (19)Vapour Pressure: 2.13×10^-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc4ccc(S\C1=N\N/2C(\C=C1)=C(/C(=O)\N=C\2)c3c(Cl)cccc3Cl)c(F)c4
(2)InChI: InChI=1/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H
(3)InChIKey: VEPKQEUBKLEPRA-UHFFFAOYAR

Product Name

VX-745

VX-745 Specification

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