CAS No.1026785-59-0,VX-222 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1026785-59-0
Name:	VX-222

Formula:	C₂₅H₃₅NO₄S
Molecular Weight:	445.61
Synonyms:	VX-222
Density:	1.22 g/cm³
Boiling Point:	640.512 °C at 760 mmHg
Flash Point:	341.17 °C
PSA:	106.08000
LogP:	5.30670

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Specification

The VX-222 is an organic compound with the formula C₂₅H₃₅NO₄S. With the CAS registry number 1026785-59-0, the systematic name of this chemical is 5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid.

Physical properties about VX-222 are: (1)ACD/LogP: 4.75; (2)ACD/LogD (pH 5.5): 2.961; (3)ACD/LogD (pH 7.4): 1.708; (4)ACD/BCF (pH 5.5): 38.966; (5)ACD/BCF (pH 7.4): 2.176; (6)ACD/KOC (pH 5.5): 148.447; (7)ACD/KOC (pH 7.4): 8.291; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 106.08 Å²; (12)Index of Refraction: 1.589; (13)Molar Refractivity: 123.153 cm³; (14)Molar Volume: 365.349 cm³; (15)Polarizability: 48.822×10^-24cm³; (16)Surface Tension: 56.924 dyne/cm; (17)Density: 1.22 g/cm³; (18)Flash Point: 341.17 °C; (19)Enthalpy of Vaporization: 99.383 kJ/mol; (20)Boiling Point: 640.512 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@H]1CC[C@@H](CC1)C(=O)N([C@H]2CC[C@H](CC2)O)c3c(sc(c3)C#CC(C)(C)C)C(=O)O
(2)InChI: InChI=1/C25H35NO4S/c1-16-5-7-17(8-6-16)23(28)26(18-9-11-19(27)12-10-18)21-15-20(13-14-25(2,3)4)31-22(21)24(29)30/h15-19,27H,5-12H2,1-4H3,(H,29,30)/t16-,17-,18-,19+
(3)InChIKey: WPMJNLCLKAKMLA-UGLKCIBTBH
(4)Std. InChI: InChI=1S/C25H35NO4S/c1-16-5-7-17(8-6-16)23(28)26(18-9-11-19(27)12-10-18)21-15-20(13-14-25(2,3)4)31-22(21)24(29)30/h15-19,27H,5-12H2,1-4H3,(H,29,30)/t16-,17-,18-,19+
(5)Std. InChIKey: WPMJNLCLKAKMLA-UGLKCIBTSA-N