AG009CI3

Name: 5-(4-((3-(2,6-diMethyl 4-(3-(Methylsulfonyl)propoxy)phenyl)phenyl)Methoxy)phenyl)isothiazol-3-ol 1-oxide
Brand: Angene Chemical
SKU: AG009CI3

1312787-30-6 | 5-(4-((3-(2,6-diMethyl 4-(3-(Methylsulfonyl)propoxy)phenyl)phenyl)Methoxy)phenyl)isothiazol-3-ol 1-oxide

Chemical structure of 5-(4-((3-(2,6-diMethyl 4-(3-(Methylsulfonyl)propoxy)phenyl)phenyl)Methoxy)phenyl)isothiazol-3-ol 1-oxide, CAS 1312787-30-6

AG009CI3

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CAS Number	1312787-30-6
Catalog Number	AG009CI3
Chemical Name	5-(4-((3-(2,6-diMethyl 4-(3-(Methylsulfonyl)propoxy)phenyl)phenyl)Methoxy)phenyl)isothiazol-3-ol 1-oxide
IUPAC Name	5-[4-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]phenyl]-1-oxo-1,2-thiazol-3-one
InChI	InChI=1S/C28H29NO6S2/c1-19-14-25(34-12-5-13-37(3,32)33)15-20(2)28(19)23-7-4-6-21(16-23)18-35-24-10-8-22(9-11-24)26-17-27(30)29-36(26)31/h4,6-11,14-17H,5,12-13,18H2,1-3H3,(H,29,30)
InChI Key	AUYCNSCKGNAXFS-UHFFFAOYSA-N
MDL Number	MFCD28399126
Molecular Formula	C28H29NO6S2
Molecular Weight	539.663
SMILES	S1(=O)C(C2=CC=C(OCC3C=CC=C(C4=C(C)C=C(OCCCS(C)(=O)=O)C=C4C)C=3)C=C2)=CC(=O)N1
Synonyms	GPR40 Activator 2, 1312787-30-6, SCHEMBL1688190, BCP14301, ZINC253387845, ZINC253387846, CS-3934, NCGC00485952-01, HY-12647, FT-0697540, 3(2H)-Isothiazolone, 5-[4-[[2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]methoxy]phenyl]-, 1-oxide, 3(2H)-ISOTHIAZOLONE, 5-[4-[[2,6-DIMETHYL-4-[3-(METHYLSULFONYL)PROPOXY][1,1-BIPHENYL]-3-YL]METHOXY]PHENYL]-, 1-OXIDE, 5-(4-((3-(2,6-diMethyl 4-(3-(Methylsulfonyl)propoxy)phenyl)phenyl)Methoxy)phenyl)isothiazol-3-ol 1-oxide,

Complexity	925
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	539.144g/mol
Formal Charge	0
Heavy Atom Count	37
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	539.661g/mol
Monoisotopic Mass	539.144g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	126A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited