Cas no 1835705-78-6 (6-(2-(2-((6-Chlorohexyl)oxy)ethoxy)ethoxy)hexanoic acid)

6-(2-(2-((6-Chlorohexyl)oxy)ethoxy)ethoxy)hexanoic acid is a versatile bifunctional compound featuring a chlorohexyl group and a carboxylic acid terminus, linked by a polyethylene glycol (PEG)-like spacer. Its structure enables applications in bioconjugation, polymer synthesis, and surface modification, offering controlled reactivity for coupling reactions. The chlorohexyl moiety allows for nucleophilic substitution, while the carboxylic acid facilitates amide or ester bond formation. The PEG spacer enhances solubility and reduces steric hindrance, improving accessibility for functionalization. This compound is particularly useful in drug delivery systems, biomaterial engineering, and crosslinking applications, where precise molecular design is critical. Its stability and dual functionality make it a valuable intermediate in synthetic and materials chemistry.
6-(2-(2-((6-Chlorohexyl)oxy)ethoxy)ethoxy)hexanoic acid structure
1835705-78-6 structure
Product Name:6-(2-(2-((6-Chlorohexyl)oxy)ethoxy)ethoxy)hexanoic acid
CAS No:1835705-78-6
MF:C16H31ClO5
MW:338.867345094681
CID:4628867
PubChem ID:129072780
Update Time:2025-10-12

6-(2-(2-((6-Chlorohexyl)oxy)ethoxy)ethoxy)hexanoic acid Chemical and Physical Properties

Names and Identifiers

    • 6-(2-(2-((6-Chlorohexyl)oxy)ethoxy)ethoxy)hexanoic acid
    • D71945
    • HEXANOIC ACID, 6-[2-[2-[(6-CHLOROHEXYL)OXY]ETHOXY]ETHOXY]-
    • 1835705-78-6
    • SCHEMBL18788293
    • AKOS037651094
    • CS-0062726
    • 6-[2-[2-[(6-Chlorohexyl)oxy]ethoxy]ethoxy]hexanoic Acid
    • 6-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]hexanoic acid
    • Cl-(CH2)6O-PEG2-(CH2)5COOH
    • MFCD31706422
    • SY328626
    • Inchi: 1S/C16H31ClO5/c17-9-5-1-2-6-10-20-12-14-22-15-13-21-11-7-3-4-8-16(18)19/h1-15H2,(H,18,19)
    • InChI Key: SAHRDVGWXQSDAN-UHFFFAOYSA-N
    • SMILES: ClCCCCCCOCCOCCOCCCCCC(=O)O

Computed Properties

  • Exact Mass: 338.1860018g/mol
  • Monoisotopic Mass: 338.1860018g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 18
  • Complexity: 239
  • 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
  • XLogP3: 2.4
  • Topological Polar Surface Area: 65

6-(2-(2-((6-Chlorohexyl)oxy)ethoxy)ethoxy)hexanoic acid Pricemore >>

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6-(2-(2-((6-Chlorohexyl)oxy)ethoxy)ethoxy)hexanoic acid Related Literature

Additional information on 6-(2-(2-((6-Chlorohexyl)oxy)ethoxy)ethoxy)hexanoic acid

Professional Introduction to Compound with CAS No. 1835705-78-6 and Product Name: 6-(2-(2-((6-Chlorohexyl)oxy)ethoxy)ethoxy)hexanoic acid

The compound identified by the CAS number 1835705-78-6 and the product name 6-(2-(2-((6-Chlorohexyl)oxy)ethoxy)ethoxy)hexanoic acid represents a sophisticated molecular entity with significant potential in the field of pharmaceutical chemistry. This compound, characterized by its intricate aliphatic and ether-based functional groups, has garnered attention due to its structural complexity and its potential applications in drug discovery and development.

At the core of this compound's structure lies a hexanoic acid moiety, which serves as a foundational backbone for further functionalization. The presence of multiple ether linkages, specifically (6-Chlorohexyl)oxy, ethoxy, and ethoxy groups, introduces a high degree of polarity and solubility, making it a candidate for various biochemical interactions. This structural arrangement is not merely an arbitrary sequence of atoms but rather a carefully designed framework that could influence its pharmacokinetic properties, including absorption, distribution, metabolism, and excretion (ADME).

In recent years, the pharmaceutical industry has seen a surge in the development of prodrugs—compounds that are inactive in their administered form but are converted into active pharmacological agents within the body. The compound in question exhibits characteristics that make it an attractive candidate for prodrug design. The hexanoic acid moiety can serve as a linker to attach bioactive molecules, while the extensive ether chain provides stability in circulation before enzymatic hydrolysis releases the active drug.

One of the most compelling aspects of this compound is its potential role in modulating biological pathways. The (6-Chlorohexyl)oxy group, while unique, is not without precedent in medicinal chemistry. Chloroalkyl chains have been explored for their ability to enhance membrane permeability or to serve as lipophilic anchors for polar pharmacophores. When combined with multiple ethoxy groups, this structure suggests a molecule that could interact with both hydrophobic and hydrophilic targets, offering versatility in therapeutic applications.

Recent studies have highlighted the importance of molecular flexibility in drug design. The flexible nature of the ether linkages in this compound could allow it to adopt multiple conformations upon binding to biological targets, potentially increasing binding affinity and reducing off-target effects. This adaptability is particularly valuable in cases where precise molecular recognition is required but traditional rigid structures may fall short.

The synthesis of such complex molecules often presents significant challenges. However, advances in synthetic methodologies have made it increasingly feasible to construct intricate structures like this one. Techniques such as palladium-catalyzed cross-coupling reactions and controlled polymerization strategies have enabled chemists to build these molecules with greater precision than ever before. This progress bodes well for future applications where structural complexity is a key asset.

In the context of drug discovery, computational modeling has become an indispensable tool. Molecular docking studies can predict how this compound might interact with various biological targets by simulating its binding modes within protein or nucleic acid structures. Preliminary simulations suggest that the (6-Chlorohexyl)oxy group could engage with lipid-rich regions of membrane-bound receptors, while the carboxylic acid terminal might interact with polar residues on protein surfaces.

The potential therapeutic applications of this compound are broad and span multiple disease areas. In oncology, for instance, molecules with similar structural motifs have been investigated for their ability to disrupt cancer cell signaling pathways. The combination of lipophilicity provided by the chloroalkyl chain and polarity from the ether groups makes it an intriguing candidate for targeting membrane receptors overexpressed in certain cancers.

In neurology, another area where structural complexity can be advantageous, this compound might serve as a scaffold for modulating neurotransmitter release or receptor activity. The ability to fine-tune both hydrophobic and hydrophilic interactions allows for precise targeting of neural pathways without undue side effects on other systems.

Furthermore, the compound's potential as an intermediate in more complex drug synthesis cannot be overlooked. Its versatile structure provides chemists with a platform upon which additional functional groups can be appended or modified to create entirely new pharmacological entities. This modular approach is central to modern drug discovery pipelines.

The safety profile of any new chemical entity is paramount before it can enter clinical trials or even preclinical testing phases. While this discussion focuses on the potential benefits of 6-(2-(2-((6-Chlorohexyl)oxy)ethoxy)ethoxy)hexanoic acid, rigorous toxicological assessments would be necessary to ensure its suitability for further development. These studies would evaluate acute toxicity, chronic exposure risks, potential allergenicity, and other critical parameters required by regulatory agencies worldwide.

Regulatory considerations also play a significant role in determining whether such compounds can transition from laboratory research to market-ready products. Compliance with guidelines set forth by agencies like the FDA or EMA ensures that only compounds meeting stringent safety and efficacy standards reach patients worldwide.

In conclusion,1835705-78-6 represents more than just a molecular formula; it embodies decades of chemical innovation aimed at addressing unmet medical needs through sophisticated molecular design. The structural features outlined here—from its unique combination of functional groups to its potential as a prodrug precursor—position it as a promising candidate for further exploration within pharmaceutical research programs worldwide.

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