Capsiate - ≥96% , CAS No.205687-01-0

CAS: 205687-01-0 Cat. No.: C346595 Fórmula: C₁₈H₂₆O₄ Peso molecular: 306.4 Número EC: 110-140-5

CALIDAD & PUREZA ≥96%

Synonyms

(6E)-8-METHYL-6-NONENOIC ACID (4-HYDROXY-3-METHOXYPHENYL)METHYL ESTER | 6-Nonenoic acid, 8-methyl-, (4-hydroxy-3-methoxyphenyl)methyl ester, (E)- | SCHEMBL1585964 | PX8I7HG5I3 | (4-hydroxy-3-methoxyphenyl)methyl (6E)-8-methylnon-6-enoate | (4-hydroxy-3-me

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product Application：

Capsiate is a capsinoid compound which are non-pungent capsaicin analogs that can promote metabolic health and exercise tolerance.

Especificaciones

Sinónimos

(6E)-8-METHYL-6-NONENOIC ACID (4-HYDROXY-3-METHOXYPHENYL)METHYL ESTER | 6-Nonenoic acid, 8-methyl-, (4-hydroxy-3-methoxyphenyl)methyl ester, (E)- | SCHEMBL1585964 | PX8I7HG5I3 | (4-hydroxy-3-methoxyphenyl)methyl (6E)-8-methylnon-6-enoate | (4-hydroxy-3-me

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

Pubchem Sid

504764956

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764956

Sonrisas canónicas

CC(C)C=CCCCCC(=O)OCC1=CC(=C(C=C1)O)OC

IUPAC Name

(4-hydroxy-3-methoxyphenyl)methyl (E)-8-methylnon-6-enoate

InChIKey

ZICNYIDDNJYKCP-SOFGYWHQSA-N

INCHI

1S/C18H26O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h6,8,10-12,14,19H,4-5,7,9,13H2,1-3H3/b8-6+

Isómeros SMILES

CC(C)/C=C/CCCCC(=O)OCC1=CC(=C(C=C1)O)OC

Peso molecular

306.4

Reaxy-Rn

20189907

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20189907&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Benzyloxycarbonyls Phenoxy compounds Methoxybenzenes Anisoles Fatty acid esters Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyloxycarbonyl - Methoxyphenol - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Alkyl aryl ether - Fatty acyl - Monocyclic benzene moiety - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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

Propiedades químicas y físicas

• Peso molecular: 306.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 306.183 Da
• Monoisotopic Mass: 306.183 Da
• Topological Polar Surface Area: 55.800 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 338.000
• 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