Cas no 1262795-35-6 (1-(3,4-Methylenedioxyphenyl)-4,4-diMethyl-d6-pent-1-en-3-one-d3)

1-(3,4-Methylenedioxyphenyl)-4,4-dimethyl-d6-pent-1-en-3-one-d3 is a deuterated and isotopically labeled compound primarily used as an internal standard or reference material in analytical chemistry, particularly in mass spectrometry and NMR studies. The incorporation of deuterium (d6 and d3) enhances its utility in quantitative analysis by minimizing interference from endogenous compounds. Its structural features, including the methylenedioxyphenyl moiety and dimethyl-d6-pentenone backbone, make it valuable for metabolic and pharmacokinetic research. The high isotopic purity ensures accurate tracing and reliable data reproducibility, while its stability under analytical conditions supports consistent performance in method validation and quality control applications.
1-(3,4-Methylenedioxyphenyl)-4,4-diMethyl-d6-pent-1-en-3-one-d3 structure
1262795-35-6 structure
Product Name:1-(3,4-Methylenedioxyphenyl)-4,4-diMethyl-d6-pent-1-en-3-one-d3
CAS No:1262795-35-6
MF:C14H16O3
MW:241.330499649048
CID:1003844
PubChem ID:58478962
Update Time:2025-10-29

1-(3,4-Methylenedioxyphenyl)-4,4-diMethyl-d6-pent-1-en-3-one-d3 Chemical and Physical Properties

Names and Identifiers

    • 1-(3,4-Methylenedioxyphenyl)-4,4-diMethyl-d6-pent-1-en-3-one-d3
    • 4,4-DiMethyl-d6-1-(3,4-Methylenedioxyphenyl)-1-penten-3-one-d3
    • 4,4-DiMethyl-d6-1-[3,4-(Methylenedioxy)phenyl]-1-penten-3-one-d3
    • (E)-1-(1,3-benzodioxol-5-yl)-5,5,5-trideuterio-4,4-bis(trideuteriomethyl)pent-1-en-3-one
    • SCHEMBL12222185
    • 1262795-35-6
    • DTXSID60729326
    • (1E)-1-(2H-1,3-Benzodioxol-5-yl)-4,4-bis[(~2~H_3_)methyl](5,5,5-~2~H_3_)pent-1-en-3-one
    • Inchi： 1S/C14H16O3/c1-14(2,3)13(15)7-5-10-4-6-11-12(8-10)17-9-16-11/h4-8H,9H2,1-3H3/b7-5+/i1D3,2D3,3D3
    • InChI Key： LXFNQCGNCFRKRR-QPYRMXHWSA-N
    • SMILES： O1COC2C=CC(=CC1=2)/C=C/C(C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])=O

Computed Properties

  • Exact Mass: 241.16600
  • Monoisotopic Mass: 241.166435082g/mol
  • Isotope Atom Count: 9
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 3
  • Complexity: 314
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53000
  • LogP: 3.04370

1-(3,4-Methylenedioxyphenyl)-4,4-diMethyl-d6-pent-1-en-3-one-d3 Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
M303972-1mg
1-(3,4-Methylenedioxyphenyl)-4,4-dimethyl-d6-pent-1-en-3-one-d3
 1262795-35-6
1mg
 $173.00 2023-05-18
TRC
M303972-10mg
1-(3,4-Methylenedioxyphenyl)-4,4-dimethyl-d6-pent-1-en-3-one-d3
 1262795-35-6
10mg
 $1326.00 2023-05-18

1-(3,4-Methylenedioxyphenyl)-4,4-diMethyl-d6-pent-1-en-3-one-d3 Related Literature

Related Categories

1262795-35-6 (1-(3,4-Methylenedioxyphenyl)-4,4-diMethyl-d6-pent-1-en-3-one-d3) Related Products

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shandong Jing Kun Chemical Co.,Ltd.
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangxi Boyang Pharmaceutical Chemical Co., Ltd