AG001WFP

Name: 2-[2-[2-(2-t-Boc-aminoethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid Methyl Ester
Brand: Angene Chemical
SKU: AG001WFP

165963-73-5 | 2-[2-[2-(2-t-Boc-aminoethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid Methyl Ester

Chemical structure of 2-[2-[2-(2-t-Boc-aminoethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid Methyl Ester, CAS 165963-73-5

AG001WFP

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CAS Number	165963-73-5
Catalog Number	AG001WFP(AGN-PC-07Y513)
Chemical Name	2-[2-[2-(2-t-Boc-aminoethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid Methyl Ester
IUPAC Name	methyl 2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]-3-[3-(trifluoromethyl)diazirin-3-yl]benzoate
InChI	InChI=1S/C21H28F3N3O7/c1-19(2,3)34-18(29)25-8-9-31-10-11-32-12-13-33-16-14(17(28)30-4)6-5-7-15(16)20(26-27-20)21(22,23)24/h5-7H,8-13H2,1-4H3,(H,25,29)
InChI Key	PEBFESZXMUDZTL-UHFFFAOYSA-N
MDL Number	MFCD07369163
Molecular Formula	C21H28F3N3O7
Molecular Weight	491.4581
SMILES	COC(=O)c1ccc(cc1OCCOCCOCCNC(=O)OC(C)(C)C)C2(N=N2)C(F)(F)F
Synonyms	165963-73-5, 2-[2-[2-(2-t-Boc-aminoethoxy]ethoxy]ethoxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid Methyl Ester, CTK8E8653, DTXSID60676260, ZINC38600498, AKOS030255935, RT-008068, FT-0663444, J-010247, 2-[(12,12-Dimethyl-10-oxo-3,6,11-trioxa-9-azatridec-1-yl)oxy]-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]benzoic Acid Methyl Ester, Methyl 2-[(2,2-dimethyl-4-oxo-3,8,11-trioxa-5-azatridecan-13-yl)oxy]-3-[3-(trifluoromethyl)-3H-diaziren-3-yl]benzoate, PEBFESZXMUDZTL-UHFFFAOYSA-N,

Complexity	707
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	491.188g/mol
Formal Charge	0
Heavy Atom Count	34
Hydrogen Bond Acceptor Count	12
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	491.464g/mol
Monoisotopic Mass	491.188g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	117A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

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Reviewed by:Jessie

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Angene International Limited

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