AA92593 - ≥98%(HPLC) , CAS No.457961-34-1

CAS: 457961-34-1 Cat. No.: A170447 Fórmula: C₁₃H₁₉NO₃S Peso molecular: 269.36

GRADE & PURITY ≥98%(HPLC)

Synonyms

1-(4-Methoxy-3-methyl-benzenesulfonyl)-piperidine | 1-[(4-Methoxy-3-methylphenyl)sulfonyl]-piperidine | Cy1001 | 1-((4-Methoxy-3-methylphenyl)sulfonyl)piperidine

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

AA92593 is a selective and competitive OPN4 (melanopsin) antagonist。    

Specifications

Sinónimos

1-(4-Methoxy-3-methyl-benzenesulfonyl)-piperidine | 1-[(4-Methoxy-3-methylphenyl)sulfonyl]-piperidine | Cy1001 | 1-((4-Methoxy-3-methylphenyl)sulfonyl)piperidine

Especificações e pureza

≥98%(HPLC)

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%(HPLC)

Nomes e identificadores

• Pubchem Sid: 504760257
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760257
• Sorrisos canónicos: CC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC
• IUPAC Name: 1-(4-methoxy-3-methylphenyl)sulfonylpiperidine
• InChIKey: HDTKLZINZGEPFG-UHFFFAOYSA-N
• INCHI: 1S/C13H19NO3S/c1-11-10-12(6-7-13(11)17-2)18(15,16)14-8-4-3-5-9-14/h6-7,10H,3-5,8-9H2,1-2H3
• SMILES isoméricas: CC1=C(C=CC(=C1)S(=O)(=O)N2CCCCC2)OC
• WGK Alemanha: 3
• Peso molecular: 269.36
• Reaxy-Rn: 27335153
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27335153&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Toluenes Alkyl aryl ethers Piperidines Organosulfonamides Sulfonyls Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Toluene - Organosulfonic acid amide - Piperidine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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

Propriedades químicas e físicas

• Solubilidade: DMSO：54 mg/mL (200.48 mM)；Water：Insoluble；Ethanol：Insoluble
• Peso molecular: 269.360 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 269.109 Da
• Monoisotopic Mass: 269.109 Da
• Topological Polar Surface Area: 55.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 357.000
• 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, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. 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 457961-34-1, the molecular formula is C13H19NO3S, and the molecular weight is 269.36 g/mol. InChIKey HDTKLZINZGEPFG-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.