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

CAS: 13026-23-8 Cat. No.: B166886 Fórmula: C₁₅H₁₂O₂ Peso molecular: 224.25 Número CE: 235-888-0

GRAU & PUREZA ≥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

Visão geral

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

Especificações

Sinónimos

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)-

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

488195636

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195636

Sorrisos canónicos

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+

SMILES isoméricas

C1=CC=C(C=C1)C2=CC=C(C=C2)/C=C/C(=O)O

Peso molecular

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
• Descrição: 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

Alvos associados (humanos)

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water.
• Ponto de fusão (°C): 224-228°C
• Peso molecular: 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