AG01EOOF

Name: PE859
Brand: Angene Chemical
SKU: AG01EOOF

1402727-29-0 | PE859

AG01EOOF

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CAS Number	1402727-29-0
Catalog Number	AG01EOOF(AGN-PC-3H46GD)
Chemical Name	PE859
IUPAC Name	6-[(E)-2-[5-[(E)-2-[2-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-pyrazol-3-yl]ethenyl]-1H-indole
InChI	InChI=1S/C28H24N4O2/c1-33-28-18-26(34-19-25-4-2-3-14-29-25)12-9-22(28)8-11-24-17-23(31-32-24)10-6-20-5-7-21-13-15-30-27(21)16-20/h2-18,30H,19H2,1H3,(H,31,32)/b10-6+,11-8+
InChI Key	AMBZHNVCLPHAKA-NSJFVGFPSA-N
MDL Number	MFCD28411710
Molecular Formula	C28H24N4O2
Molecular Weight	448.5158
SMILES	COC1=CC(OCC2=NC=CC=C2)=CC=C1/C=C/C3=NNC(/C=C/C4=CC5=C(C=C4)C=CN5)=C3
Synonyms	PE859, 1402727-29-0, CHEMBL3953399, PE-859, SCHEMBL13467316, SCHEMBL15474781, BCP29187, EX-A1441, BDBM50198624, GT-863, AKOS030524629, PE-859;PE 859, CS-6428, HY-12662, J3.589.738K, 6-((E)-2-(3-((E)-2-Methoxy-4-(pyridin-2-ylmethoxy)styryl)-1h-pyrazol-5-yl)vinyl)-1h-indole,

Complexity	685
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Exact Mass	448.19g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	448.526g/mol
Monoisotopic Mass	448.19g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	75.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.4

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