Biprofen - ≥98% , CAS No.6341-72-6

CAS: 6341-72-6 Cat. No.: B341234 分子式: C₁₅H₁₄O₂ 分子量: 226.27 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 504753100
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504753100
• カノニカル・スマイル: 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)
• 異性体SMILES: CC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O
• 分子量: 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
    • 分類 Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly, Heated)
• 融点（°C）: 145-147°C
• 分子量: 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