AG01EOOB

Name: ILK-IN-2
Brand: Angene Chemical
SKU: AG01EOOB

2070015-22-2 | ILK-IN-2

AG01EOOB

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CAS Number	2070015-22-2
Catalog Number	AG01EOOB(AGN-PC-3H46GC)
Chemical Name	ILK-IN-2
IUPAC Name	N-methyl-3-[2-(4-piperazin-1-ylphenyl)-5-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-3-yl]propanamide
InChI	InChI=1S/C30H30F3N5O/c1-34-29(39)15-14-27-20-28(36-38(27)26-12-10-25(11-13-26)37-18-16-35-17-19-37)23-4-2-21(3-5-23)22-6-8-24(9-7-22)30(31,32)33/h2-13,20,35H,14-19H2,1H3,(H,34,39)
InChI Key	AJLOJUFSIDSBNN-UHFFFAOYSA-N
MDL Number	MFCD29924730
Molecular Formula	C30H30F3N5O
Molecular Weight	533.5873
SMILES	CNC(CCC1=CC(=NN1C1=CC=C(C=C1)N1CCNCC1)C1=CC=C(C=C1)C1=CC=C(C=C1)C(F)(F)F)=O
Synonyms	N-methyl-3-(1-(4-(piperazin-1-yl)phenyl)-5-(4'-(trifluoromethyl)-(1,1'-biphenyl)-4-yl)-1H-pyrazol-3-yl)propanamide, N-methyl-PPTBPP, OSU-T315, ILK-IN-2, OSU-T315, AKOS030260474, ZINC521836522, CS-4936, HY-18676, 2070015-22-2,

Complexity	767
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	533.24g/mol
Formal Charge	0
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	533.599g/mol
Monoisotopic Mass	533.24g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	62.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.1

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