CAS No.1022150-57-7,SGX-523 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1022150-57-7
Name:	SGX-523

Formula:	C₁₈H₁₃N₇S
Molecular Weight:	359.41
Synonyms:	6-[[6-(1-Methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline;
Density:	1.507 g/cm³
PSA:	99.09000
LogP:	3.22420

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Specification

The SGX-523 has the CAS registry number 1022150-57-7. This chemical's molecular formula is C₁₈H₁₃N₇S and molecular weight is 359.41. What's more, its systematic name is 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]quinoline.

Physical properties of SGX-523 are: (1)ACD/LogP: 3.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.441; (4)ACD/LogD (pH 7.4): 3.452; (5)ACD/BCF (pH 5.5): 241.088; (6)ACD/BCF (pH 7.4): 247.555; (7)ACD/KOC (pH 5.5): 1751.69; (8)ACD/KOC (pH 7.4): 1798.682; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 99.09 Å²; (13)Index of Refraction: 1.817; (14)Molar Refractivity: 103.564 cm³; (15)Molar Volume: 238.492 cm³; (16)Polarizability: 41.056×10^-24cm³; (17)Surface Tension: 67.816 dyne/cm; (18)Density: 1.507 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: Cn1cc(cn1)c2ccc3nnc(n3n2)Sc4ccc5c(c4)cccn5
(2)InChI: InChI=1S/C18H13N7S/c1-24-11-13(10-20-24)16-6-7-17-21-22-18(25(17)23-16)26-14-4-5-15-12(9-14)3-2-8-19-15/h2-11H,1H3
(3)InChIKey: BCZUAADEACICHN-UHFFFAOYSA-N