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· · COA & SDS Disponibile per ogni prodotto · Spedizione lo stesso giorno su articoli in magazzino WAY-381665 - ≥98% , CAS No.379723-99-6
Shipped In
Ice chest + Ice pads
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Why this grade ≥98% 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.
Panoramica phosphatidylcholine transfer protein inhibitors
Specifications Condizioni di conservazione di stoccaggio
Store at -20°C
Spedito in
Ice chest + Ice pads
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Proprietà del prodotto ALogP 5.61 Conteggio HBD 3 Legame rotabile 7
Nomi e identificatori Pubchem Sid 504762516 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504762516 Sorrisi canonici CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F)S(=O)(=O)NC3=CC(=CC=C3)Cl IUPAC Name N-[[3-[(3-chlorophenyl)sulfamoyl]-4-methylphenyl]carbamothioyl]-4-fluorobenzamide InChIKey NCOKQDHZCJTXLX-UHFFFAOYSA-N INCHI 1S/C21H17ClFN3O3S2/c1-13-5-10-17(24-21(30)25-20(27)14-6-8-16(23)9-7-14)12-19(13)31(28,29)26-18-4-2-3-15(22)11-18/h2-12,26H,1H3,(H2,24,25,27,30) Isomeri SMILES CC1=C(C=C(C=C1)NC(=S)NC(=O)C2=CC=C(C=C2)F)S(=O)(=O)NC3=CC(=CC=C3)Cl PubChem CID 3268787 Peso molecolare 477.96
Documentazione 📋 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 Benzenoids Classe Benzene and substituted derivatives Subclass N-phenylthioureas Intermediate Tree Nodes Not available Direct Parent N-acyl-phenylthioureas Alternative Parents Sulfanilides 4-halobenzoic acids and derivatives Benzenesulfonamides Benzenesulfonyl compounds Benzoyl derivatives Toluenes Fluorobenzenes Chlorobenzenes Organosulfonamides Aryl chlorides Aryl fluorides Aminosulfonyl compounds Thioureas Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Molecular Framework Aromatic homomonocyclic compounds Substituents N-acyl-phenylthiourea - Benzenesulfonamide - Sulfanilide - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Benzenesulfonyl group - Benzoyl - Chlorobenzene - Fluorobenzene - Halobenzene - Toluene - Organosulfonic acid amide - Aryl halide - Aryl chloride - Aryl fluoride - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Thiourea - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic homomonocyclic compound Descrizione This compound belongs to the class of organic compounds known as n-acyl-phenylthioureas. These are thiourea derivatives where one nitrogen atom of the urea group is linked to a phenyl group and the other is acylated. 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.
Struttura 3D Obiettivi associati (umani) Obiettivi associati (non umani) Meccanismi d'azione Certificati (CoA, COO, BSE/TSE e tabella di analisi) Proprietà chimiche e fisiche DMSO (mM) Solubilità massima 10 Peso molecolare 478.000 g/mol XLogP3 5.100 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 5 Exact Mass 477.038 Da Monoisotopic Mass 477.038 Da Topological Polar Surface Area 128.000 Ų Heavy Atom Count 31 Formal Charge 0 Complexity 741.000 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
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