Determine the necessary mass, volume, or concentration for preparing a solution.
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
| Canonical Smiles | OCCCn1c(=O)c2n(Cc3ccc(cc3)Cl)c(nc2n(c1=O)C)Oc1ccc(c(c1)OC(F)(F)F)Cl |
|---|---|
| IUPAC Name | 7-[(4-chlorophenyl)methyl]-8-[4-chloro-3-(trifluoromethoxy)phenoxy]-1-(3-hydroxypropyl)-3-methylpurine-2,6-dione |
| InChIKey | UNQYAAAWKOOBFQ-UHFFFAOYSA-N |
| INCHI | 1S/C23H19Cl2F3N4O5/c1-30-19-18(20(34)31(22(30)35)9-2-10-33)32(12-13-3-5-14(24)6-4-13)21(29-19)36-15-7-8-16(25)17(11-15)37-23(26,27)28/h3-8,11,33H,2,9-10,12H2,1H3 |
| Isomeric SMILES | CN1C2=C(C(=O)N(C1=O)CCCO)N(C(=N2)OC3=CC(=C(C=C3)Cl)OC(F)(F)F)CC4=CC=C(C=C4)Cl |
| PubChem CID | 90403462 |
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 | Imidazopyrimidines |
| Subclass | Purines and purine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Xanthines |
| Alternative Parents | Diarylethers 6-oxopurines Alkaloids and derivatives Phenoxy compounds Phenol ethers Chlorobenzenes Pyrimidones Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams Trihalomethanes Azacyclic compounds Alkanolamines Organic oxides Hydrocarbon derivatives Primary alcohols Alkyl fluorides Organochlorides Organofluorides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diaryl ether - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Urea - Trihalomethane - Lactam - Ether - Alkanolamine - Azacycle - Organonitrogen compound - Organohalogen compound - Alcohol - Organochloride - Hydrocarbon derivative - Halomethane - Organofluoride - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Alkyl halide - Organooxygen compound - Alkyl fluoride - Primary alcohol - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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