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· · COA & SDS available for every product · Same-day shipping on in-stock items WAY-324107 - ≥96% , CAS No.618392-63-5
Synonyms
N-(4-Methoxyphenyl)-1-oxoisochromane-3-carboxamide | MLS000686108 | SMR000015692
Shipped In
Ice chest + Ice pads
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Why this grade ≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview PfENT1 inhibitor; Inhibitors of plasmodium falciparum equilibrative nucleoside transporter type 1;
Specifications Synonyms
N-(4-Methoxyphenyl)-1-oxoisochromane-3-carboxamide | MLS000686108 | SMR000015692
Specifications & Purity
≥96%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties ALogP 2.515 HBD Count 1 Rotatable Bond 3
Names and Identifiers Pubchem Sid 504762257 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504762257 Canonical Smiles COC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3C(=O)O2 IUPAC Name N-(4-methoxyphenyl)-1-oxo-3,4-dihydroisochromene-3-carboxamide InChIKey PEAWKYSNFZTIOI-UHFFFAOYSA-N INCHI 1S/C17H15NO4/c1-21-13-8-6-12(7-9-13)18-16(19)15-10-11-4-2-3-5-14(11)17(20)22-15/h2-9,15H,10H2,1H3,(H,18,19) Isomeric SMILES COC1=CC=C(C=C1)NC(=O)C2CC3=CC=CC=C3C(=O)O2 PubChem CID 2945486 Molecular Weight 297.31
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzopyrans Subclass 2-benzopyrans Intermediate Tree Nodes Not available Direct Parent 2-benzopyrans Alternative Parents Anilides Methoxyanilines Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Alkyl aryl ethers Secondary carboxylic acid amides Carboxylic acid esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Molecular Framework Aromatic heteropolycyclic compounds Substituents 2-benzopyran - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as 2-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 2-position. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties DMSO(mM) Max Solubility 10 Molecular Weight 297.300 g/mol XLogP3 2.700 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 3 Exact Mass 297.1 Da Monoisotopic Mass 297.1 Da Topological Polar Surface Area 64.599 Ų Heavy Atom Count 22 Formal Charge 0 Complexity 417.000 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
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