≥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.
| Sonrisas canónicas | CC1=C(N2C=CN=C(C2=N1)NCC3=CC(=CC=C3)S(=O)(=O)C)C4=CC(=C(C=C4)O)F |
|---|---|
| IUPAC Name | 2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol |
| InChIKey | IMHZCCZYPHJVMS-UHFFFAOYSA-N |
| INCHI | 1S/C21H19FN4O3S/c1-13-19(15-6-7-18(27)17(22)11-15)26-9-8-23-20(21(26)25-13)24-12-14-4-3-5-16(10-14)30(2,28)29/h3-11,27H,12H2,1-2H3,(H,23,24) |
| Isómeros SMILES | CC1=C(N2C=CN=C(C2=N1)NCC3=CC(=CC=C3)S(=O)(=O)C)C4=CC(=C(C=C4)O)F |
| Peso molecular | 426.47 |
| Reaxy-Rn | 23798949 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23798949&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 |
| Clase | Azoles |
| Subclass | Imidazoles |
| Intermediate Tree Nodes | Substituted imidazoles |
| Direct Parent | Phenylimidazoles |
| Alternative Parents | Benzenesulfonyl compounds Imidazopyrazines O-fluorophenols Benzylamines 1-hydroxy-2-unsubstituted benzenoids Aminopyrazines Fluorobenzenes Aryl fluorides N-substituted imidazoles Imidolactams Sulfones Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organic oxides Organofluorides Amines Hydrocarbon derivatives Organic anions |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 5-phenylimidazole - 4-phenylimidazole - Benzenesulfonyl group - Imidazopyrazine - Benzylamine - 2-halophenol - 2-fluorophenol - Aminopyrazine - Fluorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyrazine - Imidolactam - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl fluoride - N-substituted imidazole - Sulfonyl - Sulfone - Heteroaromatic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic anion - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond. |
| External Descriptors | Not available |
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| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 42.65, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 8.53, Max Conc. mM: 20 |
|---|---|
| Peso molecular | 426.500 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 5 |
| Exact Mass | 426.116 Da |
| Monoisotopic Mass | 426.116 Da |
| Topological Polar Surface Area | 105.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 690.000 |
| 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 |
