3,4'-DIMETHOXYCHALCONE

Modify Date: 2025-08-25 11:12:58

3,4'-DIMETHOXYCHALCONE Structure
3,4'-DIMETHOXYCHALCONE structure
Common Name 3,4'-DIMETHOXYCHALCONE
CAS Number 52182-14-6 Molecular Weight 268.30700
Density 1.128g/cm3 Boiling Point 435.1ºC at 760 mmHg
Molecular Formula C17H16O3 Melting Point N/A
MSDS N/A Flash Point 208.8ºC

 Names

Name 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.128g/cm3
Boiling Point 435.1ºC at 760 mmHg
Molecular Formula C17H16O3
Molecular Weight 268.30700
Flash Point 208.8ºC
Exact Mass 268.11000
PSA 35.53000
LogP 3.59990
Index of Refraction 1.591
InChIKey AQAKRWFRWHZVCZ-IZZDOVSWSA-N
SMILES COc1ccc(C(=O)C=Cc2cccc(OC)c2)cc1

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UD5579458
CHEMICAL NAME :
2-Propen-1-one, 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-
CAS REGISTRY NUMBER :
52182-14-6
BEILSTEIN REFERENCE NO. :
3140713
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H16-O3
MOLECULAR WEIGHT :
268.33

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
IJSBDB Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. (Publications & Information Directorate, Council of Scientific and Industrial Research (CSIR), Hillside Rd., New Delhi 110 012, India) V.14B- 1976- Volume(issue)/page/year: 18,65,1979

 Safety Information

HS Code 2914509090

 Precursor & DownStream

Precursor  0

DownStream  1

 Customs

HS Code 2914509090
Summary HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

 3,4'-DIMETHOXYCHALCONEBioassay

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Name: Inhibition of recombinant human MAOB using benzylamine as substrate after 30 mins by ...
Source: ChEMBL
Target: Amine oxidase [flavin-containing] B
External Id: CHEMBL3614599
Name: Selectivity index, ratio of IC50 for recombinant human MAOA to IC50 for recombinant h...
Source: ChEMBL
Target: N/A
External Id: CHEMBL3614601
Name: Inhibition of recombinant human MAOA using p-tyramine as substrate after 30 mins by A...
Source: ChEMBL
Target: Amine oxidase [flavin-containing] A
External Id: CHEMBL3614600
Name: Cell-based high throughput primary assay to identify activators of GPR151
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=G-protein coupled receptor 151; AltName: Full=G-protein coupled receptor PGR7; AltName: Full=GPCR-2037; AltName: Full=Galanin receptor 4; AltName: Full=Galanin-receptor-like protein; Short=GalRL
External Id: GPR151_PHUNTER_AG_LUMI_1536_1X%ACT
Name: AlphaScreen-based biochemical high throughput primary assay to identify activators of...
Source: The Scripps Research Institute Molecular Screening Center
Target: N/A
External Id: FBW7_ACT_ALPHA_1536_1X%ACT PRUN
Name: AlphaScreen-based biochemical high throughput primary assay to identify inhibitors of...
Source: The Scripps Research Institute Molecular Screening Center
External Id: MITF_INH_Alpha_1536_1X%INH PRUN
Name: Antiinvasive activity in human MCF7/6 cells assessed as Cmin for progressive occupati...
Source: ChEMBL
Target: NON-PROTEIN TARGET
External Id: CHEMBL3614869
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 Synonyms

2-Propen-1-one,3-(3-methoxyphenyl)-1-(4-methoxyphenyl)
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