Ftaxilide - ≥98% , CAS No.19368-18-4

CAS: 19368-18-4 Cat. No.: F413466 Formula: C₁₆H₁₅NO₃ Peso molecolare: 269.3 Numero EC: 666-316-1

GRADE & PURITY ≥98%

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

Ftaxilide Ftaxilide is a novel antituberculosis agent.

Specifications

Sinonimi

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

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Ftaxilide is a novel antituberculosis agent.

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.

Tipo di azione

INHIBITOR

Purezza

≥98%

Proprietà del prodotto

• ALogP: 3.216
• hba_count: 2
• Conteggio HBD: 1
• Legame rotabile: 3

Nomi e identificatori

• Pubchem Sid: 504754641
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754641
• Sorrisi canonici: 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)
• Isomeri SMILES: CC1=C(C(=CC=C1)C)NC(=O)C2=CC=CC=C2C(=O)O
• Peso molecolare: 269.3
• Reaxy-Rn: 2659992
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2659992&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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.

DOI: 10.1186/s13321-016-0174-y

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 54 mg/mL (200.51 mM); Ethanol: 13 mg/mL (48.27 mM); Water: Insoluble
• DMSO (mg/mL) Solubilità massima: 54
• DMSO (mM) Solubilità massima: 200.519866320089
• Acqua (mg/mL) Solubilità massima: ＜1
• Peso molecolare: 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 19368-18-4, the molecular formula is C16H15NO3, and the molecular weight is 269.3 g/mol. InChIKey LLECMGGNFBKPRH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.