≥98% 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.
| Sonrisas canónicas | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)[N-]C2=C(C(=NC(=N2)C3=NC=CC=N3)Cl)OC4=CC=CC=C4OC.[K+] |
|---|---|
| IUPAC Name | potassium;(4-tert-butylphenyl)sulfonyl-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]azanide |
| InChIKey | AKVKGLFONGGDDC-UHFFFAOYSA-N |
| INCHI | 1S/C25H23ClN5O4S.K/c1-25(2,3)16-10-12-17(13-11-16)36(32,33)31-22-20(35-19-9-6-5-8-18(19)34-4)21(26)29-24(30-22)23-27-14-7-15-28-23;/h5-15H,1-4H3;/q-1;+1 |
| Isómeros SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)[N-]C2=C(C(=NC(=N2)C3=NC=CC=N3)Cl)OC4=CC=CC=C4OC.[K+] |
| PubChem CID | 44128752 |
| Peso molecular | 564.11 |
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 | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Bipyrimidines and oligopyrimidines |
| Alternative Parents | Diarylethers Benzenesulfonamides Phenylpropanes Benzenesulfonyl compounds Anisoles Phenoxy compounds Methoxybenzenes Halopyrimidines Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Organosulfonic acids and derivatives Sulfonyls Organic metal halides Azacyclic compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organochlorides Organonitrogen compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Bipyrimidine - Diaryl ether - Benzenesulfonamide - Phenylpropane - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Halopyrimidine - Alkyl aryl ether - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organic metal halide - Azacycle - Organic alkali metal salt - Ether - Organochloride - Organohalogen compound - Organic salt - Organic nitrogen compound - Organic potassium salt - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as bipyrimidines and oligopyrimidines. These are organic compounds containing two or more pyrimidine rings directly linked to each other. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
| Peso molecular | 564.100 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 8 |
| Exact Mass | 563.08 Da |
| Monoisotopic Mass | 563.08 Da |
| Topological Polar Surface Area | 114.000 Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 800.000 |
| 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 | 2 |
![N-[6-Chloro-5-(2-methoxyphenoxy)[2，2'-bipyrimidin]-4-yl]-4-(1，1-dimethylethyl)benzenesulfonamide potassium salt - ≥98% CAS No(301646-59-3) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/N/7/N732040.jpg)