AG01EH82

Name: 4-(2-(4-Bromophenylthio)acetamido)-1-phenethyl-1H-pyrazole-3-carboxylic acid
Brand: Angene Chemical
SKU: AG01EH82

1021497-97-1 | 4-(2-(4-Bromophenylthio)acetamido)-1-phenethyl-1H-pyrazole-3-carboxylic acid

AG01EH82

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CAS Number	1021497-97-1
Catalog Number	AG01EH82(AGN-PC-0WNHDS)
Chemical Name	4-(2-(4-Bromophenylthio)acetamido)-1-phenethyl-1H-pyrazole-3-carboxylic acid
IUPAC Name	4-[[2-(4-bromophenyl)sulfanylacetyl]amino]-1-(2-phenylethyl)pyrazole-3-carboxylic acid
InChI	InChI=1S/C20H18BrN3O3S/c21-15-6-8-16(9-7-15)28-13-18(25)22-17-12-24(23-19(17)20(26)27)11-10-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,22,25)(H,26,27)
InChI Key	ZRLJEHIUGYTTSZ-UHFFFAOYSA-N
MDL Number	MFCD30738005
Molecular Formula	C20H18BrN3O3S
Molecular Weight	460.3442
SMILES	O=C(O)C1=NN(C=C1NC(=O)CSC2=CC=C(Br)C=C2)CCC=3C=CC=CC3
Synonyms	KR-33494, 1021497-97-1, KR-33493, SCHEMBL1875570, CHEMBL3758483, ZRLJEHIUGYTTSZ-UHFFFAOYSA-N, BCP19823, EX-A1269, AKOS032960445, ZINC117394176, CS-6263, KR 33494, HY-100755, 4-(2-((4-bromophenyl)thio)acetamido)-1-phenethyl-1H-pyrazole-3-carboxylic acid, 4-(2-(4-Bromophenylthio)acetamido)-1-phenethyl-1H-pyrazole-3-carboxylic acid, 4-[2-(4-bromo-phenylsulfanyl)-acetylamino]-1-phenethyl-1H-pyrazole-3-carboxylic acid,

Complexity	525
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	459.025g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	460.346g/mol
Monoisotopic Mass	459.025g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	110A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

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