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1160221-25-9

1160221-25-9 Structure

1160221-25-9 Structure
IdentificationBack Directory
[Name]

Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]aMino]-3-Methyl-2-pyridinyl]-, 1,1-diMethylethyl ester
[CAS]

1160221-25-9
[Synonyms]

VX-809 N-1
Lummakato impurities7
3-(6-(1-(2,2-difluorobenzo[d]
t-butyl 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoate
3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)-t-butylbenzoate
tert-Butyl 3-(6-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)-3-methylpyridin-2-yl)benzoate
Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]aMino]-3-Methyl-2-pyridinyl]-, 1,1-diMethylethyl este
Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]aMino]-3-Methyl-2-pyridinyl]-, 1,1-diMethylethyl ester
[Molecular Formula]

C28H26F2N2O5
[MDL Number]

MFCD26393338
[MOL File]

1160221-25-9.mol
[Molecular Weight]

508.51
Chemical PropertiesBack Directory
[Boiling point ]

632.6±55.0 °C(Predicted)
[density ]

1.36±0.1 g/cm3(Predicted)
[storage temp. ]

Storage temp. 2-8°C
[pka]

12.84±0.20(Predicted)
[Appearance]

Light yellow to yellow Solid
[InChIKey]

PNTDZNIYDNNCJU-UHFFFAOYSA-N
[SMILES]

C(OC(C)(C)C)(=O)C1=CC=CC(C2=NC(NC(C3(C4=CC=C5OC(F)(F)OC5=C4)CC3)=O)=CC=C2C)=C1
Spectrum DetailBack Directory
[Spectrum Detail]

Benzoic acid, 3-[6-[[[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]carbonyl]aMino]-3-Methyl-2-pyridinyl]-, 1,1-diMethylethyl ester(1160221-25-9)1HNMR
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