AG01EO9W

Name: NSC781406
Brand: Angene Chemical
SKU: AG01EO9W

1676893-24-5 | NSC781406

AG01EO9W

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CAS Number	1676893-24-5
Catalog Number	AG01EO9W
Chemical Name	NSC781406
IUPAC Name	2,4-difluoro-N-[2-methoxy-5-[4-[3-(4-methylsulfonylpiperazin-1-yl)prop-1-ynyl]quinolin-6-yl]pyridin-3-yl]benzenesulfonamide
InChI	InChI=1S/C29H27F2N5O5S2/c1-41-29-27(34-43(39,40)28-8-6-23(30)18-25(28)31)17-22(19-33-29)21-5-7-26-24(16-21)20(9-10-32-26)4-3-11-35-12-14-36(15-13-35)42(2,37)38/h5-10,16-19,34H,11-15H2,1-2H3
InChI Key	BBRINJUWZRLWKK-UHFFFAOYSA-N
MDL Number	MFCD30741837
Molecular Formula	C29H27F2N5O5S2
Molecular Weight	627.6820
SMILES	COC(C(NS(C1=CC=C(F)C=C1F)(=O)=O)=C2)=NC=C2C(C=C3)=CC4=C3N=CC=C4C#CCN5CCN(S(C)(=O)=O)CC5
Synonyms	NSC781406, 1676893-24-5, CHEMBL3763244, BCP20676, BDBM50145412, CS-6958, HY-100470, J3.552.116J, NSC781406,1676893-24-5, NSC781406,NSC-781406,NSC 781406, N-[2-Methoxy-5-[4-[3-[4-(methylsulfonyl)-1-piperazinyl]-1-propynyl]-6-quinolyl]-3-pyridyl]-2,4-difluorobenzenesulfonamide,

Complexity	1230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	627.142g/mol
Formal Charge	0
Heavy Atom Count	43
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	627.682g/mol
Monoisotopic Mass	627.142g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	139A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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