Moligand™,≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -20°C,Desiccated 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.
MS-PPOH is a selective inhibitor of the epoxygenation reactions catalyzed by specific CYP450 isozymes. MS-PPOH inhibits the formation of arachidonate 11,12-epoxides by CYP4A2 and CYP4A3 enzymes with an IC50 value of 13 μM, but has no effect on the formation of 20-HETE, the ω-hydroxylation product of CYP4A1.
| Canonical Smiles | CS(=O)(=O)NC(=O)CCCCCC1=CC=CC=C1OCC#C |
|---|---|
| IUPAC Name | N-methylsulfonyl-6-(2-prop-2-ynoxyphenyl)hexanamide |
| InChIKey | REUHFEYPDFRRGJ-UHFFFAOYSA-N |
| INCHI | 1S/C16H21NO4S/c1-3-13-21-15-11-8-7-10-14(15)9-5-4-6-12-16(18)17-22(2,19)20/h1,7-8,10-11H,4-6,9,12-13H2,2H3,(H,17,18) |
| Isomeric SMILES | CS(=O)(=O)NC(=O)CCCCCC1=CC=CC=C1OCC#C |
| Molecular Weight | 323.41 |
| Reaxy-Rn | 9144785 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9144785&ln= |
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 | Phenol ethers |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenol ethers |
| Alternative Parents | Phenoxy compounds Alkyl aryl ethers Organosulfonic acids and derivatives Aminosulfonyl compounds Carboxylic acids and derivatives Acetylides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Carboxylic acid derivative - Ether - Acetylide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring. |
| External Descriptors | Not available |
| Solubility | Soluble in water (0.3 mg/mL) at 25° C, ethanol (~25), DMF (~25), DMSO (~25), and DMSO:PBS pH7.2(1:2) (~0.3). |
|---|---|
| Sensitivity | Moisture sensitive，Light sensitive |
| Molecular Weight | 323.400 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 9 |
| Exact Mass | 323.119 Da |
| Monoisotopic Mass | 323.119 Da |
| Topological Polar Surface Area | 80.900 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 486.000 |
| 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 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →
