Fenirofibrate - ≥97% , CAS No.54419-31-7

CAS: 54419-31-7 Cat. No.: F344621 Summenformel: C₁₇H₁₇ClO₄ Molekulargewicht: 320.77

GRADE & PURITY ≥97%

Synonyms

1350310-05-2 | NIOSH/UA2454200 | DTXSID901021597 | (-)-2-(4-((4-CHLOROPHENYL)HYDROXYMETHYL)PHENOXY)-2-METHYLPROPANOIC ACID | PROPANOIC ACID, 2-(4-((4-CHLOROPHENYL)HYDROXYMETHYL)PHENOXY)-2-METHYL- | 2-(4-((4-chlorophenyl)(hydroxy)methyl)phenoxy)-2-methylpr

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

A Fenofibrate metabolite.

Specifications

Synonyme

1350310-05-2 | NIOSH/UA2454200 | DTXSID901021597 | (-)-2-(4-((4-CHLOROPHENYL)HYDROXYMETHYL)PHENOXY)-2-METHYLPROPANOIC ACID | PROPANOIC ACID, 2-(4-((4-CHLOROPHENYL)HYDROXYMETHYL)PHENOXY)-2-METHYL- | 2-(4-((4-chlorophenyl)(hydroxy)methyl)phenoxy)-2-methylpr

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504754306

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754306

Kanonisches Lächeln

CC(C)(C(=O)O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)O

IUPAC Name

2-[4-[(4-chlorophenyl)-hydroxymethyl]phenoxy]-2-methylpropanoic acid

InChIKey

ASDCLYXOQCGHNT-UHFFFAOYSA-N

INCHI

1S/C17H17ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10,15,19H,1-2H3,(H,20,21)

Isomere SMILES

CC(C)(C(=O)O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)Cl)O

Molekulargewicht

320.77

Reaxy-Rn

2061217

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2061217&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenoxyacetic acid derivatives Phenoxy compounds Phenol ethers Chlorobenzenes Alkyl aryl ethers Aryl chlorides Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenoxyacetate - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Aromatic alcohol - Organic oxygen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organochloride - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Ethyl Acetate and Methanol
• Schmelzpunkt (°C): 130-132° C
• Molekulargewicht: 320.800 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 320.082 Da
• Monoisotopic Mass: 320.082 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 369.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1