AG01EOOT

Name: IBR2
Brand: Angene Chemical
SKU: AG01EOOT

313526-24-8 | IBR2

AG01EOOT

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WARNING This product is not for human or veterinary use.

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CAS Number	313526-24-8
Catalog Number	AG01EOOT(AGN-PC-0LF2OO)
Chemical Name	IBR2
IUPAC Name	2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline
InChI	InChI=1S/C24H20N2O2S/c27-29(28,17-18-8-2-1-3-9-18)26-15-14-19-10-4-5-11-20(19)24(26)22-16-25-23-13-7-6-12-21(22)23/h1-16,24-25H,17H2
InChI Key	YCOHEPDJLXZVBZ-UHFFFAOYSA-N
MDL Number	MFCD00991660
Molecular Formula	C24H20N2O2S
Molecular Weight	400.4928
SMILES	C(C1=CC=CC=C1)S(=O)(=O)N1C(C2=CC=CC=C2C=C1)C1=CNC2=CC=CC=C12
Synonyms	IBR2, AC1NFU75, IBR-2, Oprea1_581247, SCHEMBL4540134, CHEMBL3310797, HY-103710, CS-0034478, 2-benzylsulfonyl-1-(1H-indol-3-yl)-1H-isoquinoline, 313526-24-8, ZINC01504815, CID4664423,

Complexity	694
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	400.125g/mol
Formal Charge	0
Heavy Atom Count	29
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	400.496g/mol
Monoisotopic Mass	400.125g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	61.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	4.5

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