1-Phenylprop-2-en-1-one (Contains stabilizer) - ≥95% , CAS No.768-03-6

CAS: 768-03-6 Cat. No.: P304587 Molecular Weight: 132.16 EC Number: 212-190-4 PubChem CID: 13028

GRADE & PURITY ≥95%

Synonyms

Phenylvinyl ketone | Acrylophenone | SCHEMBL13158915 | FT-0727567 | Q20707278 | 1-Phenyl-2-propen-1-one | BDBM50444877 | 2-Propenophenone | UNII-O4QWF7V5AA | 3Oxo3phenylpropene | 3-Oxo-3-phenylpropene | 1-PHENYL-2-PROPEN-1-ONE (STABILIZED WITH TBC) | BS-1

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

1-Phenylprop-2-en-1-one(stabilized with TBC) is an active-site directed irreversible inhibitor of hydroxynitrile lyase.

Product Application:

1-Phenyl-2-propen-1-one is a chemical reagent used in the synthesis of pharmaceutical agents. Used in the preparation of functionalized aminoindolizines as well as pyrano[3,2-x]coumarins.

Specifications

Synonyms

Phenylvinyl ketone | Acrylophenone | SCHEMBL13158915 | FT-0727567 | Q20707278 | 1-Phenyl-2-propen-1-one | BDBM50444877 | 2-Propenophenone | UNII-O4QWF7V5AA | 3Oxo3phenylpropene | 3-Oxo-3-phenylpropene | 1-PHENYL-2-PROPEN-1-ONE (STABILIZED WITH TBC) | BS-1

Specifications & Purity

≥95%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C=CC(=O)C1=CC=CC=C1
• IUPAC Name: 1-phenylprop-2-en-1-one
• InChIKey: KUIZKZHDMPERHR-UHFFFAOYSA-N
• INCHI: 1S/C9H8O/c1-2-9(10)8-6-4-3-5-7-8/h2-7H,1H2
• Isomeric SMILES: C=CC(=O)C1=CC=CC=C1
• PubChem CID: 13028
• Molecular Weight: 132.16

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoyl derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Aryl ketones Enones Acryloyl compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl ketone - Benzoyl - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

Associated Targets(Human)

PRKACA Tchem cAMP-dependent protein kinase alpha-catalytic subunit (3475 Activities)

Discover Target: PRKACA

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

AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

Discover Target: AKT1

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light and heat sensitive
• Flash Point(°C): 73.7°C
• Boil Point(°C): 202.6°C at 760 mmHg
• Molecular Weight: 132.160 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 132.058 Da
• Monoisotopic Mass: 132.058 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 132.000
• 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