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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items Esonarimod , CAS No.101973-77-7
Synonyms
Tox21_113282 | Phosphonic acid,P-methyl-, bis(1-methylethyl) ester | GLXC-25687 | L000225 | NCGC00182987-01 | DTXCID6028731 | Esonarimod (JAN/INN) | (+/-)-3-MERCAPTO-2-(P-METHYLPHENACYL)PROPIONIC ACID ACETATE | 2-Acetylthiomethyl-3-(4-methylbenzoyl)propio
Shipped In
Ice chest + Ice pads
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Why this grade 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.
Descripción general Information
Esonarimod (KE-298) is an antirheumatic drug.
Specifications Sinónimos
Tox21_113282 | Phosphonic acid, P-methyl-, bis(1-methylethyl) ester | GLXC-25687 | L000225 | NCGC00182987-01 | DTXCID6028731 | Esonarimod (JAN/INN) | (+/-)-3-MERCAPTO-2-(P-METHYLPHENACYL)PROPIONIC ACID ACETATE | 2-Acetylthiomethyl-3-(4-methylbenzoyl)propio
Mecanismos bioquímicos y fisiológicos
Esonarimod (KE-298) is an antirheumatic drug.
Condiciones de almacenamiento de almacenamiento
Store at -20°C
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Nombres e identificadores Sonrisas canónicas CC1=CC=C(C=C1)C(=O)CC(CSC(=O)C)C(=O)O IUPAC Name 2-(acetylsulfanylmethyl)-4-(4-methylphenyl)-4-oxobutanoic acid InChIKey YRSSFEUQNAXQMX-UHFFFAOYSA-N INCHI 1S/C14H16O4S/c1-9-3-5-11(6-4-9)13(16)7-12(14(17)18)8-19-10(2)15/h3-6,12H,7-8H2,1-2H3,(H,17,18) Isómeros SMILES CC1=CC=C(C=C1)C(=O)CC(CSC(=O)C)C(=O)O Peso molecular 280.34 Reaxy-Rn 5439717 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5439717&ln=
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 Organic oxygen compounds Clase Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Butyrophenones Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Toluenes Thioesters Carbothioic S-esters Sulfenyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Butyrophenone - Benzoyl - Aryl alkyl ketone - Gamma-keto acid - Toluene - Monocyclic benzene moiety - Benzenoid - Keto acid - Carbothioic s-ester - Thiocarboxylic acid ester - Sulfenyl compound - Carboxylic acid derivative - Carboxylic acid - Thiocarboxylic acid or derivatives - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organosulfur compound - Organic oxide - Aromatic homomonocyclic compound Descripción This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 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.
Estructura 3D Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 280.340 g/mol XLogP3 1.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Rotatable Bond Count 7 Exact Mass 280.077 Da Monoisotopic Mass 280.077 Da Topological Polar Surface Area 96.700 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 345.000 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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