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CAS

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1204518-01-3

(1E,4E)-1-(3-chlorophenyl)-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-one is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

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  • 1204518-01-3 Structure

  • Basic information

    1. Product Name: (1E,4E)-1-(3-chlorophenyl)-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-one
    2. Synonyms: (1E,4E)-1-(3-chlorophenyl)-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-one
    3. CAS NO:1204518-01-3
    4. Molecular Formula:
    5. Molecular Weight: 314.855
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1204518-01-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: (1E,4E)-1-(3-chlorophenyl)-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-one(CAS DataBase Reference)
    10. NIST Chemistry Reference: (1E,4E)-1-(3-chlorophenyl)-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-one(1204518-01-3)
    11. EPA Substance Registry System: (1E,4E)-1-(3-chlorophenyl)-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-one(1204518-01-3)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1204518-01-3(Hazardous Substances Data)

1204518-01-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1204518-01-3 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,0,4,5,1 and 8 respectively; the second part has 2 digits, 0 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 1204518-01:
(9*1)+(8*2)+(7*0)+(6*4)+(5*5)+(4*1)+(3*8)+(2*0)+(1*1)=103
103 % 10 = 3
So 1204518-01-3 is a valid CAS Registry Number.

1204518-01-3Downstream Products

1204518-01-3Relevant articles and documents

Molecular modeling of cytotoxic activity of a new terpenoid-like bischalcone

Sallum, Lóide O.,Siqueira, Vera L.,Custodio, Jean M. F.,Borges, Nádia M.,Lima, Aliny P.,Abreu, Davi C.,De Lacerda, Elisangela P.S.,Lima, Rosa S.,De Oliveira, Alisson M.,Camargo, Ademir J.,Napolitano, Hamilton B.

, p. 18451 - 18460 (2019)

This study describes the synthesis and structure of (1E,4E)-1-(3-chlorophenyl)-5-(2,6,6-trimethylcyclohex-1-en-1-yl)penta-1,4-dien-3-one (BC I). X-ray single-crystal diffraction and Hirshfeld surface analysis describe supramolecular arrangement and topological analysis. Theoretical calculations, such as QTAIM, frontier molecular orbital, MEP and infrared spectra assignments, were performed at the B3LYP/6-311++G(d,p) level of theory. Also, this work evaluates molecular docking against DNA (PDB ID: 1BNA) and cytotoxic activity against two tumor cell lines. The BC I molecule has a half chair conformation of the cyclohexene ring, and the supramolecular arrangements are stabilized by C6-H6?O1 and C7-H7?O1 interactions. MEP and docking analyses indicate an electrophilic attack that is likely to occur on the carbonyl group.

Chemotherapy of leishmaniasis part X: Synthesis and bioevaluation of novel terpenyl heterocycles

Tiwari, Avinash,Kumar, Santosh,Suryawanshi,Mittal, Monika,Vishwakarma, Preeti,Gupta, Suman

supporting information, p. 248 - 251 (2013/02/23)

Some novel α and β ionone based chalcones and their dihydropyrazolidines/pyrazolidines have been synthesized and evaluated for their in vitro and in vivo antileishmanial activities against Leishmania donovani. Amongest all, one compound (4d) exhibited sig

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