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Methoxyfenozide

CAT: 0127-BUP16836-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP16836-02Size:100 mg
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CAS Number
161050-58-4
Purity
=98%
Smiles
COc1cccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)c1C

Chemical Information

Methoxyfenozide

Methoxyfenozide is a carbohydrazide that is hydrazine in which the amino hydrogens have been replaced by 3-methoxy-2-methylbenzoyl, 3,5-dimethylbenzoyl, and tert-butyl groups respectively. It has a role as an insecticide, a xenobiotic and an environmental contaminant. It is a monomethoxybenzene and a carbohydrazide. It is functionally related to a N'-benzoyl-N-(tert-butyl)benzohydrazide.

CAS Number161050-58-4
PubChem CID105010
IUPAC NameN'-tert-butyl-N'-(3,5-dimethylbenzoyl)-3-methoxy-2-methylbenzohydrazide
Molecular FormulaC22H28N2O3
Molecular Weight368.5
XLogP4.6
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity518
SMILES
CC1=CC(=CC(=C1)C(=O)N(C(C)(C)C)NC(=O)C2=C(C(=CC=C2)OC)C)C
InChI
InChI=1S/C22H28N2O3/c1-14-11-15(2)13-17(12-14)21(26)24(22(4,5)6)23-20(25)18-9-8-10-19(27-7)16(18)3/h8-13H,1-7H3,(H,23,25)
InChIKey
QCAWEPFNJXQPAN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methoxyfenozide
CAS: 161050-58-4
CID: 105010
Formula: C22H28N2O3
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass368.20999276
Monoisotopic Mass368.20999276
Topological Polar Surface Area58.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity518
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA2087-50Methoxyfenozide
HY-117386R-01Methoxyfenozide (Standard)
454546-01Methoxyfenozide-d9
TRC-M262767-100MGMethoxyfenozide-d3
TRC-M239865-100MGMethoxyfenozide Glycoside
TRC-H099650-100MG3-Hydroxy Methoxyfenozide
AR-M04493-01Methoxyfenozide-13C-d3
sc-491489Methoxyfenozide tert-Butylhydrazone

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