AG01EO8J

Name: Btk inhibitor 2
Brand: Angene Chemical
SKU: AG01EO8J

1558036-85-3 | Btk inhibitor 2

AG01EO8J

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COA

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WARNING This product is not for human or veterinary use.

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CAS Number	1558036-85-3
Catalog Number	AG01EO8J(AGN-PC-3H469O)
Chemical Name	Btk inhibitor 2
IUPAC Name	5-amino-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazole-4-carboxamide
InChI	InChI=1S/C24H25N5O3/c1-2-20(30)28-14-6-7-17(15-28)29-23(25)21(24(26)31)22(27-29)16-10-12-19(13-11-16)32-18-8-4-3-5-9-18/h2-5,8-13,17H,1,6-7,14-15,25H2,(H2,26,31)
InChI Key	WTLRSSATGYETCG-UHFFFAOYSA-N
MDL Number	MFCD31382019
Molecular Formula	C24H25N5O3
Molecular Weight	431.4870
SMILES	O=C(C1=C(N)N([C@H]2CN(C(C=C)=O)CCC2)N=C1C3=CC=C(OC4=CC=CC=C4)C=C3)N
Synonyms	Btk inhibitor 2, 1558036-85-3, SCHEMBL15756482, WTLRSSATGYETCG-UHFFFAOYSA-N, BCP25149, 1-(1-acryloylpiperidin-3-yl)-5-amino-3-(4-phenoxyphenyl)-1H-pyrazole-4-carboxamide, BGB-3111,

Complexity	675
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	431.196g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	431.496g/mol
Monoisotopic Mass	431.196g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	117A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3

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