≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | C1COCCC1N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC=C(C=C4)OC(F)(F)F |
|---|---|
| IUPAC Name | 2-(oxan-4-yl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide |
| InChIKey | ICGMZCVSHDKQTE-UHFFFAOYSA-N |
| INCHI | 1S/C22H21F3N2O4/c23-22(24,25)31-16-7-5-14(6-8-16)13-26-20(28)19-17-3-1-2-4-18(17)21(29)27(19)15-9-11-30-12-10-15/h1-8,15,19H,9-13H2,(H,26,28) |
| Isomeric SMILES | C1COCCC1N2C(C3=CC=CC=C3C2=O)C(=O)NCC4=CC=C(C=C4)OC(F)(F)F |
| Molecular Weight | 434.41 |
| Reaxy-Rn | 19772048 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19772048&ln= |
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 | Organoheterocyclic compounds |
| Class | Isoindoles and derivatives |
| Subclass | Isoindolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isoindolones |
| Alternative Parents | Alpha amino acids and derivatives Isoindoles Phenoxy compounds Phenol ethers Oxanes Tertiary carboxylic acid amides Trihalomethanes Tertiary amines Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Alkyl fluorides Carbonyl compounds Hydrocarbon derivatives Organofluorides Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Alpha-amino acid or derivatives - Isoindolone - Isoindole - Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Benzenoid - Oxane - Tertiary carboxylic acid amide - Amino acid or derivatives - Trihalomethane - Carboxamide group - Lactam - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Amine - Hydrocarbon derivative - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Halomethane - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2402408 | Certificate of Analysis | Jan 02, 2024 | N287524 |
| B2402409 | Certificate of Analysis | Jan 02, 2024 | N287524 |
| B2402410 | Certificate of Analysis | Jan 02, 2024 | N287524 |
| B2402411 | Certificate of Analysis | Jan 02, 2024 | N287524 |
| B2402412 | Certificate of Analysis | Jan 02, 2024 | N287524 |
| B2402413 | Certificate of Analysis | Jan 02, 2024 | N287524 |
| B2402414 | Certificate of Analysis | Jan 02, 2024 | N287524 |
| B2402415 | Certificate of Analysis | Jan 02, 2024 | N287524 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 43.44, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 21.72, Max Conc. mM: 50 |
|---|---|
| Molecular Weight | 434.400 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 434.145 Da |
| Monoisotopic Mass | 434.145 Da |
| Topological Polar Surface Area | 67.900 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 645.000 |
| 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 |
