AG01FUL1

Name: CDK12-IN-3
Brand: Angene Chemical
SKU: AG01FUL1

2220184-50-7 | CDK12-IN-3

AG01FUL1

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WARNING This product is not for human or veterinary use.

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CAS Number	2220184-50-7
Catalog Number	AG01FUL1(AGN-PC-3H60G1)
Chemical Name	CDK12-IN-3
IUPAC Name	2-[1-[6-[(4,5-difluoro-1H-benzimidazol-2-yl)methylamino]-9-propan-2-ylpurin-2-yl]piperidin-2-yl]ethanol
InChI	InChI=1S/C23H28F2N8O/c1-13(2)33-12-27-20-21(26-11-17-28-16-7-6-15(24)18(25)19(16)29-17)30-23(31-22(20)33)32-9-4-3-5-14(32)8-10-34/h6-7,12-14,34H,3-5,8-11H2,1-2H3,(H,28,29)(H,26,30,31)
InChI Key	KULPPFCRBINTBS-UHFFFAOYSA-N
MDL Number	MFCD31746915
Molecular Formula	C23H28F2N8O
Molecular Weight	470.5182
SMILES	FC=1C=CC2=C(NC(=N2)CNC2=C3N=CN(C3=NC(=N2)N2[C@@H](CCCC2)CCO)C(C)C)C1F
Synonyms	CMPD 7, 2220184-50-7, CMPD-7 pound>>CMPD7, BCP29063,

Complexity	677
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	470.235414g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	470.5g/mol
Monoisotopic Mass	470.235414g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	108Å²
Undefined Atom Stereocenter Count	1
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