Mesityl(phenyl)methanone - ≥98% , CAS No.954-16-5

CAS: 954-16-5 Cat. No.: M196053 Formula: C₁₆H₁₆O Peso molecolare: 224.3 Numero EC: 403-150-9

GRADE & PURITY ≥98%

Synonyms

AE-641/00381039 | Mesityl phenyl ketone; NSC 26923 | AC2341 | DS-18260 | Mesityl(phenyl)methanone # | Acid Blue Black | AKOS005925360 | MFCD03265321 | 2-{3-[3-(5-HYDROXYPYRIDIN-2-YL)-1,2,4-OXADIAZOL-5-YL]-2,2-DIMETHYLPROPANAMIDO}CYCLOHEX-1-ENE-1-CARBOXYLI

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

AE-641/00381039 | Mesityl phenyl ketone; NSC 26923 | AC2341 | DS-18260 | Mesityl(phenyl)methanone # | Acid Blue Black | AKOS005925360 | MFCD03265321 | 2-{3-[3-(5-HYDROXYPYRIDIN-2-YL)-1,2,4-OXADIAZOL-5-YL]-2,2-DIMETHYLPROPANAMIDO}CYCLOHEX-1-ENE-1-CARBOXYLI

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504754526

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754526

Sorrisi canonici

CC1=CC(=C(C(=C1)C)C(=O)C2=CC=CC=C2)C

IUPAC Name

phenyl-(2,4,6-trimethylphenyl)methanone

InChIKey

HPAFOABSQZMTHE-UHFFFAOYSA-N

INCHI

1S/C16H16O/c1-11-9-12(2)15(13(3)10-11)16(17)14-7-5-4-6-8-14/h4-10H,1-3H3

Isomeri SMILES

CC1=CC(=C(C(=C1)C)C(=O)C2=CC=CC=C2)C

Peso molecolare

224.3

Reaxy-Rn

2050871

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2050871&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Aryl ketone - Benzoyl - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Obiettivi associati (umani)

KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

Discover Target: KDM4A

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 224.300 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 224.12 Da
• Monoisotopic Mass: 224.12 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 253.000
• 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

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 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 954-16-5, the molecular formula is C16H16O, and the molecular weight is 224.3 g/mol. InChIKey HPAFOABSQZMTHE-UHFFFAOYSA-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.