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GRADE & PURITY 10mM in DMSO
Synonyms
4,4'-Thiobis(2-tert-butyl-6-methylphenol) | FTAXILIDE [INN] | Tox21_111986 | AKOS001678089 | Salicylic acid, 5-nitro- | 1-(Diisopropylamino)-2-chloroethane | lactobionate | SR-01000253137-3 | Ftaxilidum | Ftaxilide | Phenol, 2,4-di-tert-butyl- | Yoshinox
Shipped In
Dry ice packs + Cold packs
Overview Information
Ftaxilide Ftaxilide is a novel antituberculosis agent.
Specifications Synonyms
4, 4'-Thiobis(2-tert-butyl-6-methylphenol) | FTAXILIDE [INN] | Tox21_111986 | AKOS001678089 | Salicylic acid, 5-nitro- | 1-(Diisopropylamino)-2-chloroethane | lactobionate | SR-01000253137-3 | Ftaxilidum | Ftaxilide | Phenol, 2, 4-di-tert-butyl- | Yoshinox
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Ftaxilide is a novel antituberculosis agent.
Shipped In
Dry ice packs + Cold packs
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties ALogP 3.216 hba_count 2 HBD Count 1 Rotatable Bond 3
Names and Identifiers Canonical Smiles CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC=C2C(=O)O IUPAC Name 2-[(2,6-dimethylphenyl)carbamoyl]benzoic acid InChIKey LLECMGGNFBKPRH-UHFFFAOYSA-N INCHI 1S/C16H15NO3/c1-10-6-5-7-11(2)14(10)17-15(18)12-8-3-4-9-13(12)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20) Isomeric SMILES CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC=C2C(=O)O Molecular Weight 269.3 Reaxy-Rn 2659992 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2659992&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Benzenoids Class Benzene and substituted derivatives Subclass Anilides Intermediate Tree Nodes Aromatic anilides Direct Parent Benzanilides Alternative Parents Benzoic acids Benzamides m-Xylenes Benzoyl derivatives Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Benzanilide - Benzamide - Benzoic acid or derivatives - Benzoic acid - Benzoyl - M-xylene - Xylene - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. 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(mg / mL) Max Solubility 54 DMSO(mM) Max Solubility 200.519866320089 Water(mg / mL) Max Solubility ＜1 Molecular Weight 269.290 g/mol XLogP3 3.000 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 269.105 Da Monoisotopic Mass 269.105 Da Topological Polar Surface Area 66.400 Ų Heavy Atom Count 20 Formal Charge 0 Complexity 359.000 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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