CAS No.104615-18-1,CGS 15943 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	104615-18-1
Name:	CGS 15943
Article Data:	5

Formula:	C₁₃H₈ClN₅O
Molecular Weight:	285.692
Synonyms:	9-Chloro-2-(2-furanyl)-(1,2,4)triazolo(1,5-c)quinazolin-5-amine;CGS 15943A;9-Chloro-[1,2,4]triazolo[1,5-c]quinazolin-5-ylamine;
Density:	1.728 g/cm³
Melting Point:	278-279 °C
Boiling Point:	566.6 °C at 760 mmHg
Flash Point:	296.5 °C
Solubility:	DMSO: >16 mg/mL
Appearance:	solid
PSA:	82.24000
LogP:	3.35430

Total:18 Page 1 of 1 1

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Specification

The CGS 15943, with the CAS registry number 104615-18-1, is also known as [1,2,4]Triazolo[1,5-c]quinazolin-5-amine,9-chloro-2-(2-furanyl)-. It belongs to the product category of Adenosine receptor. This chemical's molecular formula is C₁₃H₈ClN₅O and molecular weight is 285.69. What's more, its systematic name is 9-Chloro-2-(2-furyl)[1,2,4]triazolo[1,5-c]quinazolin-5-amine. This chemical is a non-xanthine triazoloquinazoline adenosine antagonist. It has the advantage over most xanthine derivatives that it is not a phosphodiesterase inhibitor, and so has more a specific pharmacological effects profile. It produces similar effects to caffeine in animal studies, though with higher potency.

Physical properties of CGS 15943 are: (1)ACD/LogP: 3.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.85; (4)ACD/LogD (pH 7.4): 3.85; (5)ACD/BCF (pH 5.5): 496.99; (6)ACD/BCF (pH 7.4): 497.01; (7)ACD/KOC (pH 5.5): 2962.41; (8)ACD/KOC (pH 7.4): 2962.51; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 82.24 Å²; (13)Index of Refraction: 1.84; (14)Molar Refractivity: 73.281 cm³; (15)Molar Volume: 165.377 cm³; (16)Polarizability: 29.051×10^-24cm³; (17)Surface Tension: 74.3889999389648 dyne/cm; (18)Density: 1.728 g/cm³; (19)Flash Point: 296.5 °C; (20)Enthalpy of Vaporization: 85.08 kJ/mol; (21)Boiling Point: 566.6 °C at 760 mmHg; (22)Vapour Pressure: 7.4E-13 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(cc1Cl)C3c2ccc(OC)cc2CN(C3)C
(2)Std. InChI: InChI=1S/C17H17Cl2NO/c1-20-9-12-7-13(21-2)4-5-14(12)15(10-20)11-3-6-16(18)17(19)8-11/h3-8,15H,9-10H2,1-2H3
(3)Std. InChIKey: ZJDCGVDEEHWEIG-UHFFFAOYSA-N