AG00AST0

Name: ML291
Brand: Angene Chemical
SKU: AG00AST0

1523437-16-2 | ML291

AG00AST0

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CAS Number	1523437-16-2
Catalog Number	AG00AST0
Chemical Name	ML291
IUPAC Name	N-[4-(4-chloropiperidin-1-yl)sulfonylphenyl]-5-nitrofuran-2-carboxamide
InChI	InChI=1S/C16H16ClN3O6S/c17-11-7-9-19(10-8-11)27(24,25)13-3-1-12(2-4-13)18-16(21)14-5-6-15(26-14)20(22)23/h1-6,11H,7-10H2,(H,18,21)
InChI Key	XKMLYHZJKCRLOI-UHFFFAOYSA-N
MDL Number	MFCD16709672
Molecular Formula	C16H16ClN3O6S
Molecular Weight	413.8327
SMILES	ClC1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccc(o1)[N+](=O)[O-]
Synonyms	ML291, 1523437-16-2, N-(4-((4-chloropiperidin-1-yl)sulfonyl)phenyl)-5-nitrofuran-2-carboxamide, XKMLYHZJKCRLOI-UHFFFAOYSA-N, cl-cob-III-194, MLS003940499, CHEMBL3360718, SCHEMBL16912991, AOB3523, KUC109671N, KUC109671N-02, KUC109671N-03, ZINC198852097, KSC-325-040, AS-16755, KSC-220-24-1, SMR002632730,

Complexity	648
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	413.045g/mol
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	413.829g/mol
Monoisotopic Mass	413.045g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	134A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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