Determine the necessary mass, volume, or concentration for preparing a solution.
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≥95% 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.
CYM50179 (compound 22n) is a potent and selective S1P4-R (Sphingosine-1-phosphate4 receptor) agonist with an EC 50 of 46 nM
Form:Solid
IC50& Target:S1PR4 46 nM (EC 50 )
| Sonrisas canónicas | C1=CC(=C(C=C1Cl)Cl)OCCOC2=C(N=C(C=C2)Br)Br |
|---|---|
| IUPAC Name | 2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine |
| InChIKey | KMGUBUXDNOMSRM-UHFFFAOYSA-N |
| INCHI | 1S/C13H9Br2Cl2NO2/c14-12-4-3-11(13(15)18-12)20-6-5-19-10-2-1-8(16)7-9(10)17/h1-4,7H,5-6H2 |
| Isómeros SMILES | C1=CC(=C(C=C1Cl)Cl)OCCOC2=C(N=C(C=C2)Br)Br |
| PubChem CID | 44620892 |
| Peso molecular | 441.93 |
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 | Halobenzenes |
| Intermediate Tree Nodes | Chlorobenzenes |
| Direct Parent | Dichlorobenzenes |
| Alternative Parents | Polyhalopyridines Phenoxy compounds Phenol ethers Alkyl aryl ethers 2-halopyridines Aryl chlorides Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organobromides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenoxy compound - 1,3-dichlorobenzene - Polyhalopyridine - Phenol ether - Alkyl aryl ether - 2-halopyridine - Aryl bromide - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Azacycle - Ether - Organoheterocyclic compound - Organochloride - Organobromide - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it. |
| External Descriptors | Not available |
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| Solubilidad | DMSO : 62.5 mg/mL (141.43 mM; Need ultrasonic) |
|---|---|
| Peso molecular | 441.900 g/mol |
| XLogP3 | 5.800 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 5 |
| Exact Mass | 440.836 Da |
| Monoisotopic Mass | 438.838 Da |
| Topological Polar Surface Area | 31.400 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 302.000 |
| 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 |