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Fenpyroximate

CAT: 0572-TRC-F248880-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F248880-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111812-58-9
Synonyms
Benzoic acid, 4-[[[[(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methylene]amino]oxy]methyl]-, 1,1-dimethylethyl ester; Fenpyroximate
Hazard Statement
Toxic if swallowed; UN number: UN2588; Packing Group: II
Purity
>95% (HPLC)
Smiles
Cc1nn(C)c(Oc2ccccc2)c1C=NOCc3ccc(cc3)C(=O)OC(C)(C)C
Molecular Formula
C24 H27 N3 O4
Molecular Weight
421.49
InChI
InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3
Additionnal Information
IUPAC name: tert-butyl 4-[[(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Fenpyroximate

Fenpyroximate is a tert-butyl ester and a pyrazole acaricide. It has a role as a mitochondrial NADH:ubiquinone reductase inhibitor. It derives from a hydride of a 1H-pyrazole.

CAS Number111812-58-9
PubChem CID9576412
IUPAC Nametert-butyl 4-[[(E)-(1,3-dimethyl-5-phenoxypyrazol-4-yl)methylideneamino]oxymethyl]benzoate
Molecular FormulaC24H27N3O4
Molecular Weight421.5
XLogP4.9
Topological Polar Surface Area74.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Heavy Atom Count31
Formal Charge0
Complexity592
SMILES
CC1=NN(C(=C1/C=N/OCC2=CC=C(C=C2)C(=O)OC(C)(C)C)OC3=CC=CC=C3)C
InChI
InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+
InChIKey
YYJNOYZRYGDPNH-MFKUBSTISA-N
Chemical Structure
2D Structure
2D structure of Fenpyroximate
CAS: 111812-58-9
CID: 9576412
Formula: C24H27N3O4
MW: 421.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.5
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count9
Exact Mass421.20015635
Monoisotopic Mass421.20015635
Topological Polar Surface Area74.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity592
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FF23267-01Fenpyroximate
AR-F09933-01(Z) -Fenpyroximate
CS-T-23534(E) -Fenpyroximate
HY-W758734(E) -Fenpyroximate-d9
HY-B0825R-01(E) -Fenpyroximate (Standard)
S-61791000 ug/mL (E) -Fenpyroximate in Acetonitrile
S-58041000 ug/mL Fenpyroximate in Acetone - 1ML
LCS-63871000 ug/mL Fenpyroximate in HPLC Acetonitrile - 1ML
LCS-61791000 ug/mL (E)-Fenpyroximate in HPLC Acetonitrile - 1ML

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