≥97% 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.
activator of PKM2;
| ALogP | 2.246 |
|---|---|
| Rotatable Bond | 4 |
| Pubchem Sid | 504759934 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504759934 |
| Canonical Smiles | CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3)OC1=O |
| IUPAC Name | N-benzyl-N,3-dimethyl-2-oxo-1,3-benzoxazole-6-sulfonamide |
| InChIKey | YQAHCTSIMVHYRE-UHFFFAOYSA-N |
| INCHI | 1S/C16H16N2O4S/c1-17(11-12-6-4-3-5-7-12)23(20,21)13-8-9-14-15(10-13)22-16(19)18(14)2/h3-10H,11H2,1-2H3 |
| Isomeric SMILES | CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)CC3=CC=CC=C3)OC1=O |
| PubChem CID | 701128 |
| Molecular Weight | 332.37 |
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 | Benzoxazoles |
| Subclass | Benzoxazolones |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxazolones |
| Alternative Parents | Organosulfonamides Benzene and substituted derivatives Oxazoles Heteroaromatic compounds Aminosulfonyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxazolone - Monocyclic benzene moiety - Organosulfonic acid amide - Benzenoid - Azole - Oxazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Heteroaromatic compound - Azacycle - Oxacycle - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxazolones. These are organic compounds containing a benzene fused to an oxazole ring (a five-member aliphatic ring with three carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 K2211661 | Certificate of Analysis | Aug 12, 2025 | W417334 |
| K2211662 | Certificate of Analysis | Aug 12, 2025 | W417334 |
| K2211664 | Certificate of Analysis | Aug 12, 2025 | W417334 |
| K2211693 | Certificate of Analysis | Aug 12, 2025 | W417334 |
| K2211718 | Certificate of Analysis | Aug 12, 2025 | W417334 |
| DMSO(mM) Max Solubility | 10 |
|---|---|
| Molecular Weight | 332.400 g/mol |
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 332.083 Da |
| Monoisotopic Mass | 332.083 Da |
| Topological Polar Surface Area | 75.300 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 539.000 |
| 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 |
