WAY-640879 - ≥98% , CAS No.851212-80-1

CAS: 851212-80-1 Cat. No.: W417856 Fórmula: C₂₄H₂₄N₂O₅S Peso molecular: 452.52 PubChem CID: 4880561

GRADE & PURITY ≥98%

Synonyms

AKOS030579953 | N-(4-methyl-3-(morpholinosulfonyl)phenyl)-2-phenoxybenzamide | MS-28228 | HY-148137 | Z26476661 | BDBM50423206 | WAY-640879 | DTXSID10406695 | CB1 agonist 1 | EX-A6447 | N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybenzamide | Benz

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

agonist for CB1 receptor

Specifications

Sinónimos

AKOS030579953 | N-(4-methyl-3-(morpholinosulfonyl)phenyl)-2-phenoxybenzamide | MS-28228 | HY-148137 | Z26476661 | BDBM50423206 | WAY-640879 | DTXSID10406695 | CB1 agonist 1 | EX-A6447 | N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybenzamide | Benz

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Propriedades do produto

ALogP

3.465

Contagem HBD

1

Ligação rotativa

6

Nomes e identificadores

Pubchem Sid

504763165

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763165

Sorrisos canónicos

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2OC3=CC=CC=C3)S(=O)(=O)N4CCOCC4

IUPAC Name

N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybenzamide

InChIKey

HASYDUIFQCRDMA-UHFFFAOYSA-N

INCHI

1S/C24H24N2O5S/c1-18-11-12-19(17-23(18)32(28,29)26-13-15-30-16-14-26)25-24(27)21-9-5-6-10-22(21)31-20-7-3-2-4-8-20/h2-12,17H,13-16H2,1H3,(H,25,27)

SMILES isoméricas

CC1=C(C=C(C=C1)NC(=O)C2=CC=CC=C2OC3=CC=CC=C3)S(=O)(=O)N4CCOCC4

PubChem CID

4880561

Peso molecular

452.52

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: Diphenylethers Diarylethers Benzenesulfonamides Benzamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Benzoyl derivatives Toluenes Organosulfonamides Morpholines Sulfonyls Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Dialkyl ethers Organonitrogen compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzanilide - Diphenylether - Diaryl ether - Benzenesulfonamide - Benzamide - Benzoic acid or derivatives - Benzenesulfonyl group - Phenoxy compound - Benzoyl - Phenol ether - Toluene - Morpholine - Oxazinane - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Dialkyl ether - Oxacycle - Ether - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: 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

Mecanismos de ação

Propriedades químicas e físicas

• DMSO (mM) Solubilidade máxima: 10
• Peso molecular: 452.500 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 452.141 Da
• Monoisotopic Mass: 452.141 Da
• Topological Polar Surface Area: 93.300 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 712.000
• 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

Perguntas frequentes

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 851212-80-1, the molecular formula is C24H24N2O5S, and the molecular weight is 452.52 g/mol. InChIKey HASYDUIFQCRDMA-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.