Cromone - ≥99% , CAS No.491-38-3

CAS: 491-38-3 Cat. No.: C170570 Formula: C₉H₆O₂ Peso molecolare: 146.14 Numero EC: 207-737-9

GRADE & PURITY ≥99%

Synonyms

FT-0632217 | 4-oxo-4H-1-benzopirano | Benzopirone | 4H-Cromen-4-one | STL570254 | BRN 0114087 | SY020315 | Benzo-gamma-pirone | InChI=1/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6 | H10070 | CHEBI:72013 | 5-17-10-00139 (riferimento al manuale Beilstein) | cr

Storage

Temperatura ambiente

Shipped In

Normale

Specifications

Sinonimi

FT-0632217 | 4-oxo-4H-1-benzopirano | Benzopirone | 4H-Cromen-4-one | STL570254 | BRN 0114087 | SY020315 | Benzo-gamma-pirone | InChI=1/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6 | H10070 | CHEBI:72013 | 5-17-10-00139 (riferimento al manuale Beilstein) | cr

Specifiche e purezza

≥99%

Condizioni di conservazione di stoccaggio

Temperatura ambiente

Spedito in

Normale

Purezza

≥99%

Nomi e identificatori

• Pubchem Sid: 488181106
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181106
• Sorrisi canonici: C1=CC=C2C(=C1)C(=O)C=CO2
• IUPAC Name: chromen-4-one
• InChIKey: OTAFHZMPRISVEM-UHFFFAOYSA-N
• INCHI: 1S/C9H6O2/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
• Isomeri SMILES: C1=CC=C2C(=C1)C(=O)C=CO2
• WGK Germania: 3
• RTECS: GB7887000
• Peso molecolare: 146.14
• Reaxy-Rn: 114087
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114087&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Pyranones and derivatives Benzenoids Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Pyranone - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
• External Descriptors: enone - chromones

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

Obiettivi associati (umani)

MAOA Tclin Monoamine oxidase A (11911 Activities)

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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HUVEC (11049 Activities)

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IDO1 Tchem Indoleamine 2,3-dioxygenase (6650 Activities)

Discover Target: IDO1

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Helicobacter pylori (3113 Activities)

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Dermatophagoides pteronyssinus (58 Activities)

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Spodoptera frugiperda (784 Activities)

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RAW264.7 (28094 Activities)

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Man1 Alpha-mannosidase (188 Activities)

Discover Target: Man1

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FUCA1 Alpha-L-fucosidase 1 (358 Activities)

Discover Target: FUCA1

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Spodoptera litura (1708 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 55-60 °C (lit.)
• Peso molecolare: 146.140 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 146.037 Da
• Monoisotopic Mass: 146.037 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 196.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Riferimenti

1. Yongjie Zhang, Xiaopei Li, Wenqin Zhu, Pibo Liu, Juntao Ren, Shangtao Chen, Yanming Hu, Guangyuan Zhou.  (2022)  A multi-functional chromone-modified polyethylene obtained by metal-free C–H activation.  Polymer Chemistry,  13  (10): (1437-1445).  [PMID:] [10.1039/D1PY01604K]

2. Zhou Lei, Qiu Jiaqi, Wang Maolin, Xu Zhenkai, Wang Jiping, Chen Tao.  (2020)  Fabrication of Nanoreactors Based on End-Functionalized Polymethacrylate and Their Catalysis Application.  Journal of Inorganic and Organometallic Polymers and Materials,  30  (11): (4569-4577).  [PMID:] [10.1007/s10904-020-01599-2]

3. Renjie Li, Haizhe Zhang, Weiqi Leng, Zhipeng Liu, Jiangtao Shi.  (2024)  Highly-fluorescent extracts from Pterocarpus wood for Fe3+ ion detection.  TALANTA,      [PMID:38850805] [10.1016/j.talanta.2024.126384]

4. Yuanjie Teng, Pei Xu, Zihang Zhou, Ning Xu, Jiayi Qiu, Yi Zhong, Jie Li, Haimin Shen, Zaifa Pan, Tianyu Hu, Xingchen Zhang, Yantao Lou.  (2025)  Supermolecule-engineered nanogap hotspots: Ultra-selective and sensitive SERS detection and intracellular imaging.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.170021]