AG008TCN

Name: 4SC-202
Brand: Angene Chemical
SKU: AG008TCN

1186222-89-8 | 4SC-202

AG008TCN

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CAS Number	1186222-89-8
Catalog Number	AG008TCN
Chemical Name	4SC-202
IUPAC Name	(E)-N-(2-aminophenyl)-3-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpyrrol-3-yl]prop-2-enamide;4-methylbenzenesulfonic acid
InChI	InChI=1S/C23H21N5O3S.C7H8O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24;1-6-2-4-7(5-3-6)11(8,9)10/h2-16H,24H2,1H3,(H,26,29);2-5H,1H3,(H,8,9,10)/b11-6+;
InChI Key	IAVXAZDVNICKFJ-ICSBZGNSSA-N
MDL Number	MFCD25976779
Molecular Formula	C30H29N5O6S2
Molecular Weight	619.7112
SMILES	S(=O)(=O)(O)C1=CC=C(C)C=C1.S(=O)(=O)(N1C=C(/C=C/C(NC2=C(N)C=CC=C2)=O)C=C1)C3=CC=C(C=C3)C4=CN(C)N=C4
Synonyms	4SC-202, 4SC-202, 1186222-89-8, 4SC-202 tosylate, Domatinostat (tosylate), domatinostat tosylate, 4SC 202, SCHEMBL1613945, SCHEMBL1613947, EX-A761, AOB87342, BCP25159, AKOS030526297, CS-3102, 4CA-1385, HY-16012, 4SC202 tosylate pound>>4SC 202 tosylate pound>>Domatinostat tosylate, Fulvestrant, B4095, 910462-43-0, (E)-N-(2-aminophenyl)-3-(1-((4-(1-methyl-1H-pyrazol-4-yl)phenyl)sulfonyl)-1H-pyrrol-3-yl)acrylamide, 129453-61-8,

Complexity	981
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	619.156g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	619.711g/mol
Monoisotopic Mass	619.156g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	183A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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