≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC |
|---|---|
| IUPAC Name | 2-methoxyethyl 2-(4-tert-butylphenyl)-2-cyano-3-oxo-3-[2-(trifluoromethyl)phenyl]propanoate |
| InChIKey | AWSZRJQNBMEZOI-UHFFFAOYSA-N |
| INCHI | 1S/C24H24F3NO4/c1-22(2,3)16-9-11-17(12-10-16)23(15-28,21(30)32-14-13-31-4)20(29)18-7-5-6-8-19(18)24(25,26)27/h5-12H,13-14H2,1-4H3 |
| Isomeric SMILES | CC(C)(C)C1=CC=C(C=C1)C(C#N)(C(=O)C2=CC=CC=C2C(F)(F)F)C(=O)OCCOC |
| Molecular Weight | 447.45 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Stilbenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Stilbenes |
| Alternative Parents | Alkyl-phenylketones Trifluoromethylbenzenes Phenylpropanes Aryl alkyl ketones Benzoyl derivatives Beta-keto acids and derivatives Fatty acid esters Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Dialkyl ethers Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Stilbene - Alkyl-phenylketone - Trifluoromethylbenzene - Phenylketone - Phenylpropane - Benzoyl - Aryl alkyl ketone - Aryl ketone - Beta-keto acid - Fatty acid ester - Monocyclic benzene moiety - Keto acid - Fatty acyl - Benzenoid - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Dialkyl ether - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organohalogen compound - Alkyl fluoride - Organofluoride - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids. |
| External Descriptors | Acaricides |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubility | DMSO (Slightly), Methanol (Slightly) |
|---|---|
| Molecular Weight | 447.400 g/mol |
| XLogP3 | 5.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 9 |
| Exact Mass | 447.166 Da |
| Monoisotopic Mass | 447.166 Da |
| Topological Polar Surface Area | 76.400 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 713.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Yumei Yan, Zhili Liu, Wenfeng Zhou, Haixiang Gao, Runhua Lu. (2023) Construction of multiple modes using gold nanoparticles as probes for the rapid detection of fenpyroximate. Analytical Methods, 15 (13): (1713-1721). [PMID:36938594] [10.1039/D3AY00139C] |
H2505251