CAS No.909910-43-6,A-83-01 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	909910-43-6
Name:	A-83-01

Formula:	C₂₅H₁₉N₅S
Molecular Weight:	421.525
Synonyms:	A 83-01;
Density:	1.27g/cm³
Melting Point:	111℃
Boiling Point:	590 °C at 760 mmHg
Flash Point:	310.6 °C
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26-36
PSA:	87.72000
LogP:	5.78680

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Specification

The 1H-Pyrazole-1-carbothioamide,3-(6-methyl-2-pyridinyl)-N-phenyl-4-(4-quinolinyl)-, with CAS registry number 909910-43-6, belongs to the following product category: Protein Kinase. It has the systematic name of 3-(6-methylpyridin-2-yl)-N-phenyl-4-quinolin-4-yl-1H-pyrazole-1-carbothioamide. This chemical should be stored at the temperature of -20°C. And the chemical formula of this chemical is C₂₅H₁₉N₅S.

Physical properties of 1H-Pyrazole-1-carbothioamide,3-(6-methyl-2-pyridinyl)-N-phenyl-4-(4-quinolinyl)-: (1)ACD/LogP: 4.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.3; (4)ACD/LogD (pH 7.4): 4.29; (5)ACD/BCF (pH 5.5): 1094.77; (6)ACD/BCF (pH 7.4): 1055.17; (7)ACD/KOC (pH 5.5): 5207.18; (8)ACD/KOC (pH 7.4): 5018.79; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 78.93 Å²; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 128.33 cm³; (15)Molar Volume: 329.6 cm³; (16)Polarizability: 50.87×10^-24cm³; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.27 g/cm³; (19)Flash Point: 310.6 °C; (20)Enthalpy of Vaporization: 88.04 kJ/mol; (21)Boiling Point: 590 °C at 760 mmHg; (22)Vapour Pressure: 6.75E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: S=C(Nc1ccccc1)n4nc(c(c2ccnc3c2cccc3)c4)c5nc(ccc5)C
(2)InChI: InChI=1/C25H19N5S/c1-17-8-7-13-23(27-17)24-21(19-14-15-26-22-12-6-5-11-20(19)22)16-30(29-24)25(31)28-18-9-3-2-4-10-18/h2-16H,1H3,(H,28,31)
(3)InChIKey: HIJMSZGHKQPPJS-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C25H19N5S/c1-17-8-7-13-23(27-17)24-21(19-14-15-26-22-12-6-5-11-20(19)22)16-30(29-24)25(31)28-18-9-3-2-4-10-18/h2-16H,1H3,(H,28,31)
(5)Std. InChIKey: HIJMSZGHKQPPJS-UHFFFAOYSA-N