XL647 4-methylbenzenesulfonate

Name: XL647 4-methylbenzenesulfonate
Brand: 2A Biotech
SKU: 2A-1170834

CAS Number1000599-06-3

SynonymsXl-647 tosylate; UNII-GKB6T21I50

Molecular FormulaC31H33Cl2FN4O5S

Molecular Weight663.58700

Cat. No.: 2A-1170834 Purity:

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Quality Control of [ 1000599-06-3 ] SDS Specification MoL

Chemical & Physical Properties
CAS Number	1000599-06-3
Catalog No.	2A-1170834
Chinese Name	XL647 4-methylbenzenesulfonate
Synonyms	Xl-647 tosylate; UNII-GKB6T21I50
Molecular Formula	C31H33Cl2FN4O5S
Molecular Weight	663.58700
PubChem ID	162109072
SMILES	COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OCC1CC2CN(C)CC2C1.Cc1ccc(S(=O)(=O)O)cc1
InChI	InChI=1S/C24H25Cl2FN4O2.C7H8O3S/c1-31-9-14-5-13(6-15(14)10-31)11-33-21-8-19-16(7-20(21)32-2)24(29-12-28-19)30-18-4-3-17(25)22(26)23(18)27;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,7-8,12-15H,5-6,9-11H2,1-2H3,(H,28,29,30);2-5H,1H3,(H,8,9,10)/t13?,14-,15+;
InChI Key	GQLLAIBEWDUUBQ-XZPOUAKSSA-N

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