AG01E0MM

Name: ML345
Brand: Angene Chemical
SKU: AG01E0MM

1632125-79-1 | ML345

AG01E0MM

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CAS Number	1632125-79-1
Catalog Number	AG01E0MM(AGN-PC-0WP0OK)
Chemical Name	ML345
IUPAC Name	5-fluoro-2-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-1,2-benzothiazol-3-one
InChI	InChI=1S/C21H22FN3O5S2/c22-15-1-4-20-17(13-15)21(26)25(31-20)19-14-16(32(27,28)24-7-11-30-12-8-24)2-3-18(19)23-5-9-29-10-6-23/h1-4,13-14H,5-12H2
InChI Key	FVKOFZKSMMIUTL-UHFFFAOYSA-N
MDL Number	MFCD28144747
Molecular Formula	C21H22FN3O5S2
Molecular Weight	479.5449
SMILES	O=C1C2=CC(F)=CC=C2SN1C3=CC(=CC=C3N4CCOCC4)S(=O)(=O)N5CCOCC5
Synonyms	ML345, 1632125-79-1, SR-03000002959, MLS004714293, SCHEMBL17407588, AOB4050, ML-345, ZINC200483015, SR-2959, AS-16783, ML345, >=98% (HPLC), SMR003484289, SR-03000002959-1, SR-03000002959-2, 5-fluoro-2-(2-morpholino-5-(morpholinosulfonyl)phenyl)benzo[d]isothiazol-3(2H)-one, FVKOFZKSMMIUTL-UHFFFAOYSA-N,

Complexity	785
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	479.098g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	479.541g/mol
Monoisotopic Mass	479.098g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	113A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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