Determine the necessary mass, volume, or concentration for preparing a solution.
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≥98%(HPLC) 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.
high affinity agonist of the translocator protein (TSPO,peripheral benzodiazepine receptor)
| Canonical Smiles | CCCCCCN(CCCCCC)C(=O)CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)F |
|---|---|
| IUPAC Name | 2-[2-(4-fluorophenyl)-1H-indol-3-yl]-N,N-dihexylacetamide |
| InChIKey | VUWXAQFLTSBUDB-UHFFFAOYSA-N |
| INCHI | 1S/C28H37FN2O/c1-3-5-7-11-19-31(20-12-8-6-4-2)27(32)21-25-24-13-9-10-14-26(24)30-28(25)22-15-17-23(29)18-16-22/h9-10,13-18,30H,3-8,11-12,19-21H2,1-2H3 |
| Isomeric SMILES | CCCCCCN(CCCCCC)C(=O)CC1=C(NC2=CC=CC=C21)C3=CC=C(C=C3)F |
| Molecular Weight | 436.61 |
| Reaxy-Rn | 5832372 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5832372&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 | Indoles and derivatives |
| Subclass | Indoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 2-phenylindoles |
| Alternative Parents | Phenylpyrroles 3-alkylindoles Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 2-phenylindole - 2-phenylpyrrole - 3-alkylindole - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Pyrrole - Carboxamide group - Azacycle - Carboxylic acid derivative - Organopnictogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl group. |
| 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 | Jun 09, 2025 | F287428 | |
| Certificate of Analysis | Jun 09, 2025 | F287428 | |
| Certificate of Analysis | Jun 09, 2025 | F287428 | |
| Certificate of Analysis | Jun 09, 2025 | F287428 | |
| Certificate of Analysis | Jun 09, 2025 | F287428 | |
| Certificate of Analysis | Jun 14, 2022 | F287428 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 43.66, Max Conc. mM: 100 |
|---|---|
| Molecular Weight | 436.600 g/mol |
| XLogP3 | 7.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 13 |
| Exact Mass | 436.289 Da |
| Monoisotopic Mass | 436.289 Da |
| Topological Polar Surface Area | 36.100 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 522.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |