Cas no 162549-35-1 (3-(3,5-Difluorophenyl)pentanedioic acid)

3-(3,5-Difluorophenyl)pentanedioic acid structure
162549-35-1 structure
Product Name:3-(3,5-Difluorophenyl)pentanedioic acid
CAS No:162549-35-1
MF:C11H10F2O4
MW:244.191510677338
MDL:MFCD09878809
CID:109990
PubChem ID:15896147
Update Time:2025-09-22

3-(3,5-Difluorophenyl)pentanedioic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(3,5-Difluorophenyl)pentanedioic acid
    • Pentanedioic acid,3-(3,5-difluorophenyl)-
    • 3-(3,5-Difluorophenyl)glutaricacid
    • 3-(3,5-Difluoro-phenyl)-pentanedioic acid
    • Pentanedioic acid,3-(3,5-difluorophenyl)
    • AKOS022172774
    • EN300-1997597
    • 3-(3,5-difluorophenyl)glutaric acid
    • A848601
    • DTXSID30579219
    • SCHEMBL7565228
    • QZZKCORFMJMYJP-UHFFFAOYSA-N
    • 162549-35-1
    • 3-(3,5-DIFLUOROPHENYL)PENTANEDIOICACID
    • MDL: MFCD09878809
    • Inchi: 1S/C11H10F2O4/c12-8-1-6(2-9(13)5-8)7(3-10(14)15)4-11(16)17/h1-2,5,7H,3-4H2,(H,14,15)(H,16,17)
    • InChI Key: QZZKCORFMJMYJP-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=C(C=1)C(CC(=O)O)CC(=O)O)F

Computed Properties

  • Exact Mass: 244.05500
  • Monoisotopic Mass: 244.05471512g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 269
  • 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: 1.2
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • Density: 1.434
  • Boiling Point: 349.1°Cat760mmHg
  • Flash Point: 165°C
  • Refractive Index: 1.533
  • PSA: 74.60000
  • LogP: 1.99780

3-(3,5-Difluorophenyl)pentanedioic acid Customs Data

  • HS CODE:2917399090
  • Customs Data:

    China Customs Code:

    2917399090

    Overview:

    2917399090 Other aromatic polycarboxylic acids. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Summary:

    2917399090 aromatic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

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3-(3,5-Difluorophenyl)pentanedioic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:162549-35-1)3-(3,5-Difluorophenyl)pentanedioic acid
Order Number:A848601
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 07:20
Price ($):418.0

Additional information on 3-(3,5-Difluorophenyl)pentanedioic acid

Introduction to 3-(3,5-Difluorophenyl)pentanedioic acid (CAS No: 162549-35-1)

3-(3,5-Difluorophenyl)pentanedioic acid, identified by its Chemical Abstracts Service (CAS) number 162549-35-1, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and biochemical research. This compound, featuring a 3,5-difluorophenyl substituent and a pentanedioic acid backbone, exhibits unique chemical properties that make it a valuable intermediate in the synthesis of various biologically active molecules. The presence of fluorine atoms in the aromatic ring enhances its metabolic stability and binding affinity, making it particularly useful in drug design and development.

The pentanedioic acid moiety, also known as glutaric acid, contributes to the compound's structural rigidity and reactivity, allowing for further functionalization through various chemical transformations. This dual functionality has been exploited in the synthesis of polymeric materials, chelating agents, and pharmacophores targeting specific biological pathways. The 3,5-difluorophenyl group introduces electronic and steric effects that modulate the compound's interactions with biological targets, making it a promising candidate for medicinal chemistry applications.

In recent years, 3-(3,5-Difluorophenyl)pentanedioic acid has been studied for its potential in developing novel therapeutic agents. Its structural features align well with the requirements for selective binding to enzymes and receptors involved in inflammatory and metabolic disorders. Preliminary studies have demonstrated its efficacy in inhibiting key enzymes such as cyclooxygenase (COX) and lipoxygenase (LOX), which are pivotal in regulating inflammatory responses. The fluorine atoms enhance the compound's bioavailability by improving its lipophilicity while maintaining water solubility, a critical balance for effective drug delivery.

The compound's utility extends beyond small-molecule drug development. Researchers have explored its role in designing advanced materials for drug delivery systems, including polymeric nanoparticles and hydrogels. The pentanedioic acid moiety allows for cross-linking and polymerization, creating matrices that can encapsulate therapeutic agents and release them in a controlled manner. This approach has shown promise in targeted drug delivery applications, particularly for diseases requiring sustained release of bioactive molecules.

Moreover, 3-(3,5-Difluorophenyl)pentanedioic acid has been investigated as a precursor in the synthesis of metal-organic frameworks (MOFs). These frameworks are highly porous materials that can be tailored for various applications, including gas storage, catalysis, and separation technologies. The combination of the 3,5-difluorophenyl group and the pentanedioic acid backbone provides unique coordination sites for metal ions, enabling the construction of stable and functional MOFs with tailored properties.

Recent advancements in computational chemistry have further highlighted the potential of 3-(3,5-Difluorophenyl)pentanedioic acid as a scaffold for drug discovery. Molecular modeling studies have identified optimal binding orientations and interactions with target proteins, guiding the design of next-generation inhibitors with improved potency and selectivity. These computational approaches have accelerated the development pipeline by predicting structural modifications that enhance pharmacological activity while minimizing off-target effects.

The compound's versatility has also been leveraged in biochemical research. Its ability to act as a chelating agent has been utilized in studying metal ion-dependent enzymatic reactions. By coordinating with transition metals such as copper and zinc, 3-(3,5-Difluorophenyl)pentanedioic acid can modulate enzyme activity relevant to neurological disorders and oxidative stress pathways. This has opened new avenues for understanding disease mechanisms and developing targeted interventions.

In conclusion, 3-(3,5-Difluorophenyl)pentanedioic acid (CAS No: 162549-35-1) is a multifaceted compound with significant applications across pharmaceuticals, materials science, and biochemical research. Its unique structural features enable diverse functionalizations and interactions with biological systems, making it a cornerstone in modern chemical biology. As research continues to uncover new applications for this compound, 3-(3,5-Difluorophenyl)pentanedioic acid is poised to play an increasingly important role in advancing therapeutic strategies and material innovations.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:162549-35-1)3-(3,5-Difluorophenyl)pentanedioic acid
A848601
Purity:99%
Quantity:5g
Price ($):418.0
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