4-Phenylcinnamic acid - ≥95% , CAS No.13026-23-8

CAS: 13026-23-8 Cat. No.: B166886 Formula: C₁₅H₁₂O₂ Peso molecolare: 224.25 Numero EC: 235-888-0

GRADE & PURITY ≥95%

Synonyms

p-Phenylcinnamic acid | 3-[1,1'-Biphenyl]-4-yl-2-propenoic acid, AldrichCPR | A806048 | (Z)-3-(4-phenylphenyl)prop-2-enoic acid | SCHEMBL165794 | JS-042C | BDBM50124584 | J-501863 | 3-([1,1'-Biphenyl]-4-yl)acrylic acid | EN300-152469 | MFCD00014010 | (E)-

Storage

Room temperature

Shipped In

Normal

Panoramica

4-Phenylcinnamic acid is used as pharmaceutical intermediates and for chemical research.

Specifications

Sinonimi

p-Phenylcinnamic acid | 3-[1,1'-Biphenyl]-4-yl-2-propenoic acid, AldrichCPR | A806048 | (Z)-3-(4-phenylphenyl)prop-2-enoic acid | SCHEMBL165794 | JS-042C | BDBM50124584 | J-501863 | 3-([1,1'-Biphenyl]-4-yl)acrylic acid | EN300-152469 | MFCD00014010 | (E)-

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 488195636
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488195636
• Sorrisi canonici: C1=CC=C(C=C1)C2=CC=C(C=C2)C=CC(=O)O
• IUPAC Name: (E)-3-(4-phenylphenyl)prop-2-enoic acid
• InChIKey: DMJDEZUEYXVYNO-DHZHZOJOSA-N
• INCHI: 1S/C15H12O2/c16-15(17)11-8-12-6-9-14(10-7-12)13-4-2-1-3-5-13/h1-11H,(H,16,17)/b11-8+
• Isomeri SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)O
• Peso molecolare: 224.25
• Reaxy-Rn: 1955124
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1955124&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Cinnamic acids Styrenes Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid or derivatives - Cinnamic acid - Biphenyl - Styrene - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Descrizione: 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

Obiettivi associati (umani)

HDAC2 Tclin Histone deacetylase 2 (3971 Activities)

Discover Target: HDAC2

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water.
• Punto di fusione (°C): 224-228°C
• Peso molecolare: 224.250 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 224.084 Da
• Monoisotopic Mass: 224.084 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 269.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1