Biprofen - ≥98% , CAS No.6341-72-6

CAS: 6341-72-6 Cat. No.: B341234 Formula: C₁₅H₁₄O₂ Molecular Weight: 226.27 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504753100
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753100
• Canonical Smiles: 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)
• Isomeric SMILES: CC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

PTGS2 Tclin Prostaglandin G/H synthase 2 (1 Activities)

Discover Target: PTGS2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PTGS1 Tclin Cyclooxygenase-1 (9233 Activities)

Discover Target: PTGS1

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

PTGS2 Tclin Cyclooxygenase-2 (13999 Activities)

Discover Target: PTGS2

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO (Slightly), Ethanol (Slightly), Methanol (Slightly, Heated)
• Melt Point(°C): 145-147°C
• Molecular Weight: 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