AG01EO3H

Name: TN1
Brand: Angene Chemical
SKU: AG01EO3H

289479-94-3 | TN1

AG01EO3H

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COA

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CAS Number	289479-94-3
Catalog Number	AG01EO3H(AGN-PC-0WNHE9)
Chemical Name	TN1
IUPAC Name	N-[3-[[9-ethyl-2-[(4-hydroxycyclohexyl)amino]purin-6-yl]amino]phenyl]-3-(4-methylphenyl)prop-2-ynamide
InChI	InChI=1S/C29H31N7O2/c1-3-36-18-30-26-27(34-29(35-28(26)36)33-21-12-14-24(37)15-13-21)32-23-6-4-5-22(17-23)31-25(38)16-11-20-9-7-19(2)8-10-20/h4-10,17-18,21,24,37H,3,12-15H2,1-2H3,(H,31,38)(H2,32,33,34,35)
InChI Key	QPFYQTIUHLNNSI-UHFFFAOYSA-N
MDL Number	MFCD30496708
Molecular Formula	C29H31N7O2
Molecular Weight	509.6021
SMILES	C(NC1=CC=CC(NC2=C3C(=NC(N[C@@H]4CC[C@@H](O)CC4)=N2)N(CC)C=N3)=C1)(=O)C#CC1=CC=C(C)C=C1
Synonyms	TN1, 289479-94-3, SCHEMBL6574741, SCHEMBL6574743, AKOS032945063, ZINC257900493, CS-6005, HY-100826,

Complexity	842
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	509.254g/mol
Formal Charge	0
Heavy Atom Count	38
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	509.614g/mol
Monoisotopic Mass	509.254g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	117A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

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