AG00AR0S

Name: 4-Desmethyl-2-methyl Celecoxib
Brand: Angene Chemical
SKU: AG00AR0S

170569-99-0 | 4-Desmethyl-2-methyl Celecoxib

AG00AR0S

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CAS Number	170569-99-0
Catalog Number	AG00AR0S(AGN-PC-0Q9P6E)
Chemical Name	4-Desmethyl-2-methyl Celecoxib
IUPAC Name	4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
InChI	InChI=1S/C17H14F3N3O2S/c1-11-4-2-3-5-14(11)15-10-16(17(18,19)20)22-23(15)12-6-8-13(9-7-12)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
InChI Key	QGNNQDAQBISHQG-UHFFFAOYSA-N
MDL Number	MFCD28805725
Molecular Formula	C17H14F3N3O2S
Molecular Weight	381.3722
SMILES	FC(F)(F)C1=NN(C2=CC=C(S(=O)(N)=O)C=C2)C(C3=CC=CC=C3C)=C1
Synonyms	CHEMBL28599, SCHEMBL3239998, 4-Desmethyl-2-methyl Celecoxib, BDBM50057539, 170569-99-0, 4-(5-o-Tolyl-3-trifluoromethyl-pyrazol-1-yl)-benzenesulfonamide, 4-[3-(Trifluoromethyl)-5-(o-tolyl)-1H-pyrazole-1-yl]benzenesulfonamide, QGNNQDAQBISHQG-UHFFFAOYSA-N, CID10156660, 4-[5-(2-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide,

Complexity	585
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	381.076g/mol
Formal Charge	0
Heavy Atom Count	26
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	381.373g/mol
Monoisotopic Mass	381.076g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	86.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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