Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ 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 | 4.2 |
|---|
| Pubchem Sid | 504769136 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504769136 |
| Sonrisas canónicas | CC1=C(C=C(C=C1)C(=O)NC)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C |
| IUPAC Name | 3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridin-1-yl]-N,4-dimethylbenzamide |
| InChIKey | KCAJXIDMCNPGHZ-UHFFFAOYSA-N |
| INCHI | 1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28) |
| Isómeros SMILES | CC1=C(C=C(C=C1)C(=O)NC)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C |
| CAS alternativo | 1358027-80-1 |
| Peso molecular | 477.3 |
| Reaxy-Rn | 18380929 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18380929&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 | Benzenoids |
| Clase | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzamides |
| Alternative Parents | p-Toluamides Benzoyl derivatives Alkyl aryl ethers Dihydropyridines Fluorobenzenes Methylpyridines Pyridinones Aryl fluorides Aryl bromides Heteroaromatic compounds Vinylogous esters Lactams Secondary carboxylic acid amides Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Organofluorides Organonitrogen compounds Organopnictogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | P-toluamide - Toluamide - Benzamide - Benzoyl - Alkyl aryl ether - Methylpyridine - Dihydropyridine - Fluorobenzene - Halobenzene - Toluene - Pyridinone - Aryl bromide - Aryl fluoride - Aryl halide - Hydropyridine - Pyridine - Heteroaromatic compound - Vinylogous ester - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organofluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring. |
| External Descriptors | organofluorine compound - organobromine compound - aromatic ether - benzamides - pyridone |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
| Certificate of Analysis | Mar 11, 2026 | P127738 | |
| Certificate of Analysis | Mar 11, 2026 | P127738 | |
| Certificate of Analysis | Mar 11, 2026 | P127738 | |
| Certificate of Analysis | Mar 11, 2026 | P127738 |
| Solubilidad | DMSO ≥93mg/mL Water <1.2mg/mL Ethanol ≥9.5mg/mL |
|---|---|
| Peso molecular | 477.300 g/mol |
| XLogP3 | 4.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 5 |
| Exact Mass | 476.055 Da |
| Monoisotopic Mass | 476.055 Da |
| Topological Polar Surface Area | 58.600 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 742.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →