AG01EOCT

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CAS Number	94164-88-2
Catalog Number	AG01EOCT(AGN-PC-3H46C1)
Chemical Name	PKM2-IN-1
IUPAC Name	(3-methyl-1,4-dioxonaphthalen-2-yl)methyl piperidine-1-carbodithioate
InChI	InChI=1S/C18H19NO2S2/c1-12-15(11-23-18(22)19-9-5-2-6-10-19)17(21)14-8-4-3-7-13(14)16(12)20/h3-4,7-8H,2,5-6,9-11H2,1H3
InChI Key	STAFOGVMELKGRI-UHFFFAOYSA-N
MDL Number	MFCD31619244
Molecular Formula	C18H19NO2S2
Molecular Weight	345.4790
SMILES	S=C(N1CCCCC1)SCC(C2=O)=C(C)C(C3=C2C=CC=C3)=O
Synonyms	PKM2 inhibitor, PKM2-IN-1, 94164-88-2, PKM2 inhibitor(compound 3k), pkm2-inhibitor-compound-3k, MDK4882, BCP23555, EX-A2027, CS-8094, HY-103617, AK00798846, N/A,

Complexity	549
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	345.086g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	345.475g/mol
Monoisotopic Mass	345.086g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	94.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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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