AG009CNP

Name: RIP2 kinase inhibitor 1
Brand: Angene Chemical
SKU: AG009CNP

1423186-80-4 | RIP2 kinase inhibitor 1

AG009CNP

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CAS Number	1423186-80-4
Catalog Number	AG009CNP
Chemical Name	RIP2 kinase inhibitor 1
IUPAC Name	2-[4-(1,3-benzothiazol-5-ylamino)-6-tert-butylsulfonylquinazolin-7-yl]oxyethanol
InChI	InChI=1S/C21H22N4O4S2/c1-21(2,3)31(27,28)19-9-14-15(10-17(19)29-7-6-26)22-11-23-20(14)25-13-4-5-18-16(8-13)24-12-30-18/h4-5,8-12,26H,6-7H2,1-3H3,(H,22,23,25)
InChI Key	UHDOJINBFLDQJM-UHFFFAOYSA-N
MDL Number	MFCD30489727
Molecular Formula	C21H22N4O4S2
Molecular Weight	458.5538
SMILES	S1C=NC2=C1C=CC(=C2)NC2=NC=NC1=CC(=C(C=C21)S(=O)(=O)C(C)(C)C)OCCO
Synonyms	RIP2 kinase inhibitor 1, 1423186-80-4, SCHEMBL14697655, UHDOJINBFLDQJM-UHFFFAOYSA-N, AKOS032945042, ZINC205398491, CS-5912, GSK2983559, HY-19764, A16312, 2-((4-(benzo[d]thiazol-5-ylamino)-6-(tert-butylsulfonyl)quinazolin-7-yl)oxy)ethanol,

Complexity	711
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	458.108g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	458.551g/mol
Monoisotopic Mass	458.108g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	151A^2
Undefined Atom Stereocenter Count	0
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