CAS No.479543-46-9,VX-702 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	479543-46-9
Name:	VX-702
Article Data:	2

Formula:	C₁₉H₁₂F₄N₄O₂
Molecular Weight:	404.32
Synonyms:	VX 702
Density:	1.503 g/cm³
Boiling Point:	555.2 °C at 760 mmHg
Flash Point:	289.6 °C
PSA:	102.31000
LogP:	5.02130

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Specification

This chemical is called VX 702, and its systematic name is 6-[Carbamoyl(2,6-difluorophenyl)amino]-2-(2,4-difluorophenyl)nicotinamide. With the molecular formula of C₁₉H₁₂F₄N₄O₂, its molecular weight is 404.32. The CAS registry number of this chemical is 479543-46-9.

Other characteristics of the VX 702 can be summarised as followings: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 1.18; (5)ACD/BCF (pH 5.5): 4.66; (6)ACD/BCF (pH 7.4): 4.62; (7)ACD/KOC (pH 5.5): 104.67; (8)ACD/KOC (pH 7.4): 103.73; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 56.75 Å²; (13)Index of Refraction: 1.628; (14)Molar Refractivity: 95.48 cm³; (15)Molar Volume: 268.8 cm³; (16)Polarizability: 37.85×10^-24cm³; (17)Surface Tension: 60 dyne/cm; (18)Density: 1.503 g/cm³; (19)Flash Point: 289.6 °C; (20)Enthalpy of Vaporization: 83.65 kJ/mol; (21)Boiling Point: 555.2 °C at 760 mmHg; (22)Vapour Pressure: 2.28E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(N(c1nc(c(cc1)C(=O)N)c2ccc(F)cc2F)c3c(F)cccc3F)N
2.InChI: InChI=1/C19H12F4N4O2/c20-9-4-5-10(14(23)8-9)16-11(18(24)28)6-7-15(26-16)27(19(25)29)17-12(21)2-1-3-13(17)22/h1-8H,(H2,24,28)(H2,25,29)
3.InChIKey: FYSRKRZDBHOFAY-UHFFFAOYAZ