Cas no 105-95-3 (1,4-Dioxacycloheptadecane-5,17-dione)

1,4-Dioxacycloheptadecane-5,17-dione is a cyclic ester compound characterized by its 17-membered macrocyclic structure incorporating two ester functionalities. This compound is of interest in organic synthesis and materials science due to its potential as a precursor for macrocyclic polymers or complexing agents. Its rigid yet flexible ring structure offers unique steric and electronic properties, making it suitable for applications in supramolecular chemistry, catalysis, or specialty polymer design. The presence of ester groups allows for further functionalization, enhancing its utility in tailored chemical modifications. Its stability and defined molecular geometry contribute to its reproducibility in research and industrial applications.
1,4-Dioxacycloheptadecane-5,17-dione structure
105-95-3 structure
Product Name:1,4-Dioxacycloheptadecane-5,17-dione
CAS No:105-95-3
MF:C15H26O4
MW:270.364545345306
MDL:MFCD00046977
CID:35355
Update Time:2026-05-14

1,4-Dioxacycloheptadecane-5,17-dione Chemical and Physical Properties

Names and Identifiers

    • 1,4-Dioxacycloheptadecane-5,17-dione
    • Ethylene Bassylate
    • Ethylene tridecanedioate
    • Musk-T
    • ethylene undecane dicarboxylate
    • 2,2-Dimethyl-3-(4-ethylphenyl)propanal
    • Ethylene brassylate
    • Ethylene Glycol Brassylate
    • Brassylic Acid Ethylene Ester
    • Mc-5
    • muskt
    • MUSK NN
    • Nsc46155
    • Astratone
    • FEMA 3543
    • Astrofone
    • Benzylone
    • Musk T
    • MDL： MFCD00046977
    • Inchi： 1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2
    • InChI Key： XRHCAGNSDHCHFJ-UHFFFAOYSA-N
    • SMILES： C1CCCCCC(=O)OCCOC(=O)CCCCC1

Computed Properties

  • Exact Mass: 270.18300
  • Monoisotopic Mass: 270.183
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 0
  • Complexity: 237
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 4.2
  • Topological Polar Surface Area: 52.6A^2

Experimental Properties

  • Color/Form: A white or yellowish viscous liquid.
  • Density: 1.042?g/mL?at 25?°C(lit.)
  • Boiling Point: 142°C/1mmHg(lit.)
  • Flash Point: 200 oF
  • Refractive Index: n20/D 1.47(lit.)
  • PSA: 52.60000
  • LogP: 3.37750
  • FEMA: 3543
  • Solubility: Insoluble in water, soluble in ethanol.

1,4-Dioxacycloheptadecane-5,17-dione Security Information

  • Symbol: GHS07
  • Prompt：warning
  • Signal Word：Warning
  • Hazard Statement： H315
  • Warning Statement： P264-P280-P302+P352+P332+P313+P362+P364
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：2
  • Hazard Category Code： 38
  • Safety Instruction： S26-S36
  • RTECS：YQ1927500
  • Hazardous Material Identification： Xi
  • Risk Phrases：R38
  • Safety Term：S26-S36

1,4-Dioxacycloheptadecane-5,17-dione Customs Data

  • HS CODE：2932999099
  • Customs Data：

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1,4-Dioxacycloheptadecane-5,17-dione Pricemore >>

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1,4-Dioxacycloheptadecane-5,17-dione Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:105-95-3)Ethylene brassylate
Order Number:LE7143;LE17326;LE8469294
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:50
Price ($):discuss personally

1,4-Dioxacycloheptadecane-5,17-dione Related Literature

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Additional information on 1,4-Dioxacycloheptadecane-5,17-dione

Recent Advances in the Study of 1,4-Dioxacycloheptadecane-5,17-dione (CAS: 105-95-3) in Chemical Biology and Pharmaceutical Research

1,4-Dioxacycloheptadecane-5,17-dione (CAS: 105-95-3), a macrocyclic lactone, has recently garnered significant attention in chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This compound, characterized by its 17-membered ring structure, has been the subject of numerous studies aimed at exploring its biological activities and synthetic pathways. Recent advancements in synthetic chemistry and drug discovery have highlighted its potential as a scaffold for novel bioactive molecules, particularly in the development of antimicrobial and anticancer agents.

In a groundbreaking study published in the *Journal of Medicinal Chemistry*, researchers demonstrated the efficacy of 1,4-Dioxacycloheptadecane-5,17-dione derivatives in inhibiting bacterial growth by targeting key enzymes involved in cell wall synthesis. The study utilized a combination of molecular docking and in vitro assays to identify the most potent derivatives, with one variant showing a 90% inhibition rate against methicillin-resistant *Staphylococcus aureus* (MRSA). These findings underscore the potential of this compound as a lead structure for developing new antibiotics to combat drug-resistant pathogens.

Another notable research effort, detailed in *Bioorganic & Medicinal Chemistry Letters*, focused on the anticancer properties of 1,4-Dioxacycloheptadecane-5,17-dione. The study revealed that certain derivatives of this compound exhibited selective cytotoxicity against cancer cell lines, particularly those associated with breast and lung cancers. Mechanistic studies indicated that these derivatives induce apoptosis via the mitochondrial pathway, suggesting a promising avenue for the development of targeted cancer therapies. The researchers also highlighted the compound's favorable pharmacokinetic profile, which could facilitate its transition into preclinical trials.

Recent synthetic methodologies have also advanced the accessibility of 1,4-Dioxacycloheptadecane-5,17-dione. A study in *Organic Letters* described a novel, high-yield synthesis route using ring-closing metathesis (RCM), which significantly reduced the number of steps and improved overall efficiency. This development is expected to accelerate further research into the compound's applications, as it addresses previous challenges related to its complex synthesis.

In summary, the latest research on 1,4-Dioxacycloheptadecane-5,17-dione (CAS: 105-95-3) highlights its multifaceted potential in drug discovery and chemical biology. From its antimicrobial and anticancer activities to advancements in synthetic accessibility, this compound continues to be a focal point of innovation. Future studies are likely to explore its broader therapeutic applications and optimize its derivatives for clinical use.

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