Methyl Caffeate - ≥98%(T) , CAS No.3843-74-1

CAS: 3843-74-1 Cat. No.: M158462 分子式: C₁₀H₁₀O₄ 分子量: 194.19 EC番号: 808-143-8

GRADE & PURITY ≥98%(T)

Synonyms

AC9787 | E-Caffeic acid methyl ester | BDBM50029209 | Caffeic acid, methyl ester | 3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester | 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester, (E)- | methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | Meth

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AC9787 | E-Caffeic acid methyl ester | BDBM50029209 | Caffeic acid, methyl ester | 3-(3,4-Dihydroxy-phenyl)-acrylic acid methyl ester | 2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, methyl ester, (E)- | methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | Meth

仕様と純度

≥98%(T)

生化学的・生理学的メカニズム

Naturally occurring ester of caffeic acid. Antihyperglycemic and antidiabetic effects in vivo. Oncoprotective effects in vitro.

保管条件

Room temperature

入荷

Normal

アクションタイプ

INHIBITOR

注

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

純度

≥98%(T)

名前と識別子

パブケム・シド

488191143

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488191143

カノニカル・スマイル

COC(=O)C=CC1=CC(=C(C=C1)O)O

IUPAC Name

methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

InChIKey

OCNYGKNIVPVPPX-HWKANZROSA-N

INCHI

1S/C10H10O4/c1-14-10(13)5-3-7-2-4-8(11)9(12)6-7/h2-6,11-12H,1H3/b5-3+

異性体SMILES

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

代替CAS番号

67667-67-8

分子量

194.19

Reaxy-Rn

2100051

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2100051&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Cinnamic acids and derivatives
      • Subclass Hydroxycinnamic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Cinnamic acids and derivatives
• Subclass: Hydroxycinnamic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumaric acids and derivatives
• Alternative Parents: Cinnamic acid esters Styrenes Catechols Fatty acid esters 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Methyl esters Enoate esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Coumaric acid or derivatives - Cinnamic acid ester - Catechol - Styrene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acid ester - Fatty acyl - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
• External Descriptors: alkyl caffeate ester

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

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pol Human immunodeficiency virus type 1 integrase (9041 Activities)

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作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 160℃
• 分子量: 194.180 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 194.058 Da
• Monoisotopic Mass: 194.058 Da
• Topological Polar Surface Area: 66.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 224.000
• 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

よくある質問

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 3843-74-1, the molecular formula is C10H10O4, and the molecular weight is 194.19 g/mol. InChIKey OCNYGKNIVPVPPX-HWKANZROSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.