AG01EG2H

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CAS Number	1992047-61-6
Catalog Number	AG01EG2H
Chemical Name	NVS-CECR2-1
IUPAC Name	N-cyclopropyl-2-propylsulfonyl-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)indol-5-yl]pyrimidin-4-amine
InChI	InChI=1S/C27H37N5O2S/c1-6-13-35(33,34)25-29-22(15-24(30-25)28-20-8-9-20)18-7-10-23-19(14-18)11-12-32(23)21-16-26(2,3)31-27(4,5)17-21/h7,10-12,14-15,20-21,31H,6,8-9,13,16-17H2,1-5H3,(H,28,29,30)
InChI Key	XVECNLUKQDKOST-UHFFFAOYSA-N
MDL Number	MFCD30290159
Molecular Formula	C27H37N5O2S
Molecular Weight	495.6800
SMILES	O=S(C1=NC(NC2CC2)=CC(C3=CC(C=CN4C5CC(C)(C)NC(C)(C)C5)=C4C=C3)=N1)(CCC)=O
Synonyms	NVS-CECR2-1, 1992047-61-6, CHEMBL3785432, NVS-1, GTPL8951, BDBM50157606, AKOS027470275, ZINC575598584, NVS-CECR2-1, >=98% (HPLC), N-cyclopropyl-2-(propane-1-sulfonyl)-6-[1-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-indol-5-yl]pyrimidin-4-amine, N-Cyclopropyl-2-(propylsulfonyl)-6-(1-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-indol-5-yl)pyrimidin-4-amine,

Complexity	836
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	495.267g/mol
Formal Charge	0
Heavy Atom Count	35
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	495.686g/mol
Monoisotopic Mass	495.267g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	97.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.5

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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