Biprofen - ≥98% , CAS No.6341-72-6

CAS: 6341-72-6 Cat. No.: B341234 Summenformel: C₁₅H₁₄O₂ Molekulargewicht: 226.27 EG-Nummer: 642-253-5

GRADE & PURITY ≥98%

Synonyms

2-(4-phenylphenyl)propanoic acid | 2-(BIPHENYL-4-YL)PROPIONIC ACID | Biprofen | p- Phenylhydratropic Acid | (2RS)-2-([1,1'-biphenyl]-4-yl)propanoic acid | alpha-Methyl-4-biphenylacetic acid | alpha-Methyl-4-biphenyl-acetic acid | EN300-1868594 | (1,1'-BIP

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

2-(4-phenylphenyl)propanoic acid | 2-(BIPHENYL-4-YL)PROPIONIC ACID | Biprofen | p- Phenylhydratropic Acid | (2RS)-2-([1,1'-biphenyl]-4-yl)propanoic acid | alpha-Methyl-4-biphenylacetic acid | alpha-Methyl-4-biphenyl-acetic acid | EN300-1868594 | (1,1'-BIP

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504753100
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753100
• Kanonisches Lächeln: CC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O
• IUPAC Name: 2-(4-phenylphenyl)propanoic acid
• InChIKey: JALUUBQFLPUJMY-UHFFFAOYSA-N
• INCHI: 1S/C15H14O2/c1-11(15(16)17)12-7-9-14(10-8-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)
• Isomere SMILES: CC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O
• Molekulargewicht: 226.27
• Reaxy-Rn: 1213153
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1213153&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenylpropanoic acids Monocyclic monoterpenoids Aromatic monoterpenoids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - 2-phenylpropanoic-acid - Monoterpenoid - Monocyclic monoterpenoid - Aromatic monoterpenoid - P-cymene - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Zugehörige Ziele (menschlich)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly, Heated)
• Schmelzpunkt (°C): 145-147°C
• Molekulargewicht: 226.270 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 226.099 Da
• Monoisotopic Mass: 226.099 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 248.000
• 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