≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Conservar a -20°C,Desecado Ships Hielera + almohadillas de hielo 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 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Almacenar a -20°C. Almacenar en condiciones de desecación. El producto puede almacenarse hasta 12 meses.
| Pubchem Sid | 504762202 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504762202 |
| Sonrisas canónicas | CCOC(=O)C1=C(OC2=C(C1C(C#N)C(=O)OCC)C=C(C=C2)Cl)N |
| IUPAC Name | ethyl 2-amino-6-chloro-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate |
| InChIKey | DXVKFBGVVRSOLI-UHFFFAOYSA-N |
| INCHI | 1S/C17H17ClN2O5/c1-3-23-16(21)11(8-19)13-10-7-9(18)5-6-12(10)25-15(20)14(13)17(22)24-4-2/h5-7,11,13H,3-4,20H2,1-2H3 |
| Isómeros SMILES | CCOC(=O)C1=C(OC2=C(C1C(C#N)C(=O)OCC)C=C(C=C2)Cl)N |
| PubChem CID | 2810830 |
| Peso molecular | 364.8 |
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 | Benzopyrans |
| Subclass | 1-benzopyrans |
| Intermediate Tree Nodes | Not available |
| Direct Parent | 1-benzopyrans |
| Alternative Parents | Dicarboxylic acids and derivatives Benzenoids Aryl chlorides Vinylogous esters Vinylogous amides Enoate esters Ketene acetals Oxacyclic compounds Nitriles Organopnictogen compounds Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-benzopyran - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Vinylogous ester - Carboxylic acid ester - Ketene acetal or derivatives - Oxacycle - Carboxylic acid derivative - Carbonitrile - Nitrile - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Primary aliphatic amine - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 D2614026 | Certificate of Analysis | Apr 21, 2026 | S275934 |
| L2207563 | Certificate of Analysis | Dec 12, 2025 | S275934 |
| L2207645 | Certificate of Analysis | Dec 12, 2025 | S275934 |
| L2207648 | Certificate of Analysis | Dec 12, 2025 | S275934 |
| L2207973 | Certificate of Analysis | Dec 12, 2025 | S275934 |
| Solubilidad | Soluble in DMSO to 100 mM |
|---|---|
| Peso molecular | 364.800 g/mol |
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 7 |
| Exact Mass | 364.083 Da |
| Monoisotopic Mass | 364.083 Da |
| Topological Polar Surface Area | 112.000 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 611.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 1. Tian-Shuang Xia, Sheng-Yan Xu, Li-Yong Lai, Yi-Ping Jiang, Na-Ni Wang, Hai-Liang Xin. (2024) Bitter acids from Humulus lupulus L. alleviate D-galactose induced osteoblastic senescence and bone loss via regulating AKT/mTOR-mediated autophagy. JOURNAL OF FOOD AND DRUG ANALYSIS, 32 (4): (506). [PMID:39752859] [10.38212/2224-6614.3508] |
| 2. Zhuang Cuicui, Zhang Ruoqing, Bai Jiangang, Zhang Xinying, Zhao Jinhui. (2024) Lycopene promoted M2 macrophage polarization via inhibition of NOTCH1-PI3K-mTOR-NF-κB-JMJD3-IRF4 pathway in response to Escherichia coli infection in J744A.1 cells. ARCHIVES OF MICROBIOLOGY, 206 (6): (1-11). [PMID:38713385] [10.1007/s00203-024-03971-z] |
