≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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 | 0.3 |
|---|
| Canonical Smiles | COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC3=CN=CN=C3C2 |
|---|---|
| InChIKey | NSEZQLZCHRSSJH-UHFFFAOYSA-N |
| INCHI | 1S/C14H13N3O4S/c1-21-14(18)10-2-4-12(5-3-10)22(19,20)17-7-11-6-15-9-16-13(11)8-17/h2-6,9H,7-8H2,1H3 |
| Isomeric SMILES | COC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC3=CN=CN=C3C2 |
| PubChem CID | 71805860 |
| Molecular Weight | 319.34 |
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 |
| Class | Benzene and substituted derivatives |
| Subclass | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoic acid esters |
| Alternative Parents | Benzenesulfonamides Pyrrolopyrimidines Benzenesulfonyl compounds Benzoyl derivatives Pyrimidines and pyrimidine derivatives Organosulfonamides Sulfonyls Methyl esters Heteroaromatic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzenesulfonamide - Benzoate ester - Benzenesulfonyl group - Pyrrolopyrimidine - Benzoyl - Pyrimidine - Organosulfonic acid amide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Methyl ester - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. |
| External Descriptors | Not available |
![methyl 4-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-ylsulfonyl)benzoate - ≥97% CAS No(1448047-95-7) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/M/6/M681413.jpg)