Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| ALogP | 0.9 |
|---|
| Canonical Smiles | CC1=C(NC(=C1C(=O)NCC(CN2CCOCC2)O)C)C=C3C4=C(C=CC(=C4)F)NC3=O |
|---|---|
| IUPAC Name | 5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-N-[(2S)-2-hydroxy-3-morpholin-4-ylpropyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide |
| InChIKey | CTNPALGJUAXMMC-PMFHANACSA-N |
| INCHI | 1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1 |
| Isomeric SMILES | CC1=C(NC(=C1C(=O)NC[C@@H](CN2CCOCC2)O)C)/C=C\3/C4=C(C=CC(=C4)F)NC3=O |
| PubChem CID | 10138259 |
| Molecular Weight | 442.48 |
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 | Indoles and derivatives |
| Subclass | Indolines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Indolines |
| Alternative Parents | Pyrrole carboxamides Aryl fluorides Substituted pyrroles Benzenoids Morpholines Vinylogous amides Heteroaromatic compounds 1,2-aminoalcohols Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Secondary alcohols Lactams Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Dihydroindole - Pyrrole-3-carboxamide - Pyrrole-3-carboxylic acid or derivatives - Morpholine - Oxazinane - Aryl fluoride - Aryl halide - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Vinylogous amide - Secondary carboxylic acid amide - Secondary alcohol - Lactam - Carboxamide group - 1,2-aminoalcohol - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organic oxygen compound - Amine - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole. |
| 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 |
|---|---|---|---|
| Certificate of Analysis | Jul 20, 2024 | H671079 | |
| Certificate of Analysis | Jul 20, 2024 | H671079 | |
| Certificate of Analysis | Jul 20, 2024 | H671079 | |
| Certificate of Analysis | Jul 20, 2024 | H671079 | |
| Certificate of Analysis | Jul 20, 2024 | H671079 | |
| Certificate of Analysis | Jul 20, 2024 | H671079 | |
| Certificate of Analysis | Jul 20, 2024 | H671079 | |
| Certificate of Analysis | Jul 20, 2024 | H671079 |
| Solubility | DMSO : 88 mg/mL ( (198.87 mM) ;Water : Insoluble;Ethanol : Insoluble |
|---|---|
| Molecular Weight | 442.500 g/mol |
| XLogP3 | 0.900 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 442.202 Da |
| Monoisotopic Mass | 442.202 Da |
| Topological Polar Surface Area | 107.000 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 729.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |