AG009CI6

Name: GSK-5498A
Brand: Angene Chemical
SKU: AG009CI6

1253186-49-0 | GSK-5498A

AG009CI6

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CAS Number	1253186-49-0
Catalog Number	AG009CI6
Chemical Name	GSK-5498A
IUPAC Name	2,6-difluoro-N-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
InChI	InChI=1S/C18H11F6N3O/c19-12-4-1-3-11(18(22,23)24)10(12)9-27-8-7-15(26-27)25-17(28)16-13(20)5-2-6-14(16)21/h1-8H,9H2,(H,25,26,28)
InChI Key	AUBGZAJDHUHMAE-UHFFFAOYSA-N
MDL Number	MFCD28385869
Molecular Formula	C18H11F6N3O
Molecular Weight	399.2899
SMILES	C(NC1C=CN(CC2=C(F)C=CC=C2C(F)(F)F)N=1)(=O)C1=C(F)C=CC=C1F
Synonyms	2,6-difluoro-N-(1-(2-fluoro-6-(trifluoromethyl)benzyl)-1H-pyrazol-3-yl)benzamide, GSK-5498A, GSK-5498A, 1253186-49-0, GSK5498A, SCHEMBL715052, AUBGZAJDHUHMAE-UHFFFAOYSA-N, BCP23928, AKOS030526358, ZINC114445157, CS-3631, NCGC00485916-01, HY-12521, 2,6-difluoro-N-(1-{[2-fluoro-6-(trifluoromethyl)phenyl]methyl}-1H-pyrazol-3-yl)benzamide,

Complexity	538
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	399.081g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	399.296g/mol
Monoisotopic Mass	399.081g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	46.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited