AG01EO2N

Name: KRN5
Brand: Angene Chemical
SKU: AG01EO2N

1800465-47-7 | KRN5

AG01EO2N

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CAS Number	1800465-47-7
Catalog Number	AG01EO2N(AGN-PC-3H465E)
Chemical Name	KRN5
IUPAC Name	21-[(2-fluorophenyl)methyl]-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaen-14-one
InChI	InChI=1S/C27H22FNO5/c1-31-21-8-7-17-19(11-16-5-3-4-6-20(16)28)25-18-13-23-22(33-14-34-23)12-15(18)9-10-29(25)27(30)24(17)26(21)32-2/h3-8,12-13H,9-11,14H2,1-2H3
InChI Key	WSIOACCDMOKVNM-UHFFFAOYSA-N
MDL Number	MFCD31715427
Molecular Formula	C27H22FNO5
Molecular Weight	459.4657
SMILES	C12=CC3=C(C=C1CCN1C2=C(CC2=CC=CC=C2F)C2C=CC(OC)=C(OC)C=2C1=O)OCO3
Synonyms	KRN5, SCHEMBL18037450, WSIOACCDMOKVNM-UHFFFAOYSA-N, HY-112126, CS-0043390, 13-(2-fluorobenzyl)-9,10-dimethoxy-5H-[1,3]dioxolo[4,5-g]isoquinolino[3,2-a]isoquinoline-8(6H)-one, 1800465-47-7,

Complexity	819
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	459.148g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	459.473g/mol
Monoisotopic Mass	459.148g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	57.2A^2
Undefined Atom Stereocenter Count	0
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