2-Hydroxychalcone - ≥98% , CAS No.644-78-0

CAS: 644-78-0 Cat. No.: H157054 Formula: C₁₅H₁₂O₂ Peso molecolare: 224.26 Beilstein Registry Number: 8(4)1388 Numero EC: 211-422-1

GRADE & PURITY ≥98%

Synonyms

A834764 | (E)-2-Hydroxychalcone | NSC-8489 | MFCD00016449 | 2-Hydroxychalcone | (E)-3-(2-hydroxyphenyl)-1-phenyl-prop-2-en-1-one | (E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one | (2E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one | CCRIS 7712 | HMS3078L22

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

A834764 | (E)-2-Hydroxychalcone | NSC-8489 | MFCD00016449 | 2-Hydroxychalcone | (E)-3-(2-hydroxyphenyl)-1-phenyl-prop-2-en-1-one | (E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one | (2E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one | CCRIS 7712 | HMS3078L22

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

INHIBITOR

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 504763760
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763760
• Sorrisi canonici: C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2O
• IUPAC Name: (E)-3-(2-hydroxyphenyl)-1-phenylprop-2-en-1-one
• InChIKey: UDOOPSJCRMKSGL-ZHACJKMWSA-N
• INCHI: 1S/C15H12O2/c16-14-9-5-4-8-13(14)10-11-15(17)12-6-2-1-3-7-12/h1-11,16H/b11-10+
• Isomeri SMILES: C1=CC=C(C=C1)C(=O)/C=C/C2=CC=CC=C2O
• Peso molecolare: 224.26
• Beilstein: 8(4)1388
• Reaxy-Rn: 147424
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=147424&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Linear 1,3-diarylpropanoids
      • Subclass Chalcones and dihydrochalcones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Linear 1,3-diarylpropanoids
• Subclass: Chalcones and dihydrochalcones
• Intermediate Tree Nodes: Not available
• Direct Parent: Retrochalcones
• Alternative Parents: Cinnamylphenols Hydroxycinnamic acids and derivatives Styrenes Benzoyl derivatives Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Enones Acryloyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Retrochalcone - Cinnamylphenol - Hydroxycinnamic acid or derivatives - Benzoyl - Styrene - Aryl ketone - Phenol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as retrochalcones. These are a form of normal chalcones that are structurally distinguished by the lack of oxygen functionalities at the C2'- and C6'-positions.
• 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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): ca 154° dec.
• Peso molecolare: 224.250 g/mol
• XLogP3: 3.300
• 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: 277.000
• 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

Riferimenti

1. Jianglin Zhang, Fan Yang, Xia Sun, Lingyu Gao, Jing Yan, Xiuxian Chen, Yuhua Gu, Shuaijie Song, Fuliang Hu, Xu'’ai Lin, Simon Duttwyler, Hao Cheng, Stijn van der Veen.  (2025)  2-Hydroxychalcone is a gonococcal-specific antimicrobial with activity against elongation factor Tu and butanediol dehydrogenase.  LIFE SCIENCES,      [PMID:41015385] [10.1016/j.lfs.2025.123994]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 644-78-0, the molecular formula is C15H12O2, and the molecular weight is 224.26 g/mol. InChIKey UDOOPSJCRMKSGL-ZHACJKMWSA-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.