≥98%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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.
| Canonical Smiles | CN(C)CCOC1=C(C=CC(=C1)C2=CNN=C2)NC(=O)C3COC4=CC=CC=C4O3 |
|---|---|
| IUPAC Name | N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide |
| InChIKey | OQWZIAVXCYIZNN-UHFFFAOYSA-N |
| INCHI | 1S/C22H24N4O4/c1-26(2)9-10-28-20-11-15(16-12-23-24-13-16)7-8-17(20)25-22(27)21-14-29-18-5-3-4-6-19(18)30-21/h3-8,11-13,21H,9-10,14H2,1-2H3,(H,23,24)(H,25,27) |
| Isomeric SMILES | CN(C)CCOC1=C(C=CC(=C1)C2=CNN=C2)NC(=O)C3COC4=CC=CC=C4O3 |
| PubChem CID | 25093235 |
| Molecular Weight | 408.45 |
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 | Azoles |
| Subclass | Pyrazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrazoles |
| Alternative Parents | Benzo-1,4-dioxanes Anilides N-arylamides Phenol ethers Phenoxy compounds Alkyl aryl ethers Para dioxins Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylpyrazole - Benzodioxane - Benzo-1,4-dioxane - Anilide - Phenoxy compound - N-arylamide - Phenol ether - Alkyl aryl ether - Para-dioxin - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Oxacycle - Azacycle - Carboxylic acid derivative - Ether - Amine - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2427121 | Certificate of Analysis | Jan 20, 2024 | S288304 |
| B2427122 | Certificate of Analysis | Jan 20, 2024 | S288304 |
| B2427123 | Certificate of Analysis | Jan 20, 2024 | S288304 |
| B2427124 | Certificate of Analysis | Jan 20, 2024 | S288304 |
| B2427125 | Certificate of Analysis | Jan 20, 2024 | S288304 |
| B2427126 | Certificate of Analysis | Jan 20, 2024 | S288304 |
| B2427127 | Certificate of Analysis | Jan 20, 2024 | S288304 |
| B2427128 | Certificate of Analysis | Jan 20, 2024 | S288304 |
| B2427130 | Certificate of Analysis | Jan 20, 2024 | S288304 |
| B2427131 | Certificate of Analysis | Jan 20, 2024 | S288304 |
| Solubility | DMSO: 40 mg/mL (97.93 mM) |
|---|---|
| Refractive Index | n20D1.63 (Predicted) |
| Molecular Weight | 408.400 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 408.18 Da |
| Monoisotopic Mass | 408.18 Da |
| Topological Polar Surface Area | 88.700 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 563.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
