4-Methoxy-trans-stilbene - ≥98% , CAS No.1694-19-5

CAS: 1694-19-5 Cat. No.: M404682 Peso molecular: 210.28 Número EC: 622-359-8

GRADE & PURITY ≥98%

Synonyms

PS-8014 | SCHEMBL699621 | ?4-METHOXYSTILBENE | 1-Phenyl-2-(4-methoxy-phenyl)-A currencythylen | M2964 | 1-(P-METHOXY)PHENYL-2-PHENYLETHYLENE | P-METHOXYSTILBENE | (E)-4-Methoxystilbene | 4-Methoxystilbene | InChI=1/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13

Storage

Room temperature

Descripción general

Maximum Absorption Wavelength:318(EtOH)nm

Specifications

Sinónimos

PS-8014 | SCHEMBL699621 | ?4-METHOXYSTILBENE | 1-Phenyl-2-(4-methoxy-phenyl)-A currencythylen | M2964 | 1-(P-METHOXY)PHENYL-2-PHENYLETHYLENE | P-METHOXYSTILBENE | (E)-4-Methoxystilbene | 4-Methoxystilbene | InChI=1/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760433
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760433
• Sonrisas canónicas: COC1=CC=C(C=C1)C=CC2=CC=CC=C2
• IUPAC Name: 1-methoxy-4-[(E)-2-phenylethenyl]benzene
• InChIKey: XWYXLYCDZKRCAD-BQYQJAHWSA-N
• INCHI: 1S/C15H14O/c1-16-15-11-9-14(10-12-15)8-7-13-5-3-2-4-6-13/h2-12H,1H3/b8-7+
• Isómeros SMILES: COC1=CC=C(C=C1)/C=C/C2=CC=CC=C2
• CAS alternativo: 1142-15-0
• Peso molecular: 210.28
• Reaxy-Rn: 2048013
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2048013&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Styrenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Phenoxy compound - Methoxybenzene - Styrene - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• External Descriptors: Diphenyl ethers, biphenyls, dibenzyls and stilbenes

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

Objetivos asociados (humanos)

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

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

HT-29 (80576 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 126 °C/0.01 mmHg
• Punto de fusión (°C): 136 °C
• Peso molecular: 210.270 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 210.104 Da
• Monoisotopic Mass: 210.104 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 207.000
• 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