Cas no 133950-70-6 (Nonanoic acid,5-bromo-1H-indol-3-yl ester)

Nonanoic acid, 5-bromo-1H-indol-3-yl ester is a brominated indole derivative esterified with nonanoic acid. This compound is of interest in organic synthesis and pharmaceutical research due to its potential as an intermediate in the development of bioactive molecules. The presence of the bromine substituent enhances its reactivity, making it suitable for further functionalization via cross-coupling or nucleophilic substitution reactions. The nonanoate ester group may improve lipid solubility, which could be advantageous in drug delivery applications. Its structural features suggest utility in the synthesis of indole-based compounds with potential pharmacological properties. Proper handling and storage are recommended due to its reactive nature.
Nonanoic acid,5-bromo-1H-indol-3-yl ester structure
133950-70-6 structure
Product Name:Nonanoic acid,5-bromo-1H-indol-3-yl ester
CAS No:133950-70-6
MF:C17H22BrNO2
MW:352.266084194183
CID:138880
PubChem ID:10154980
Update Time:2025-06-25

Nonanoic acid,5-bromo-1H-indol-3-yl ester Chemical and Physical Properties

Names and Identifiers

    • Nonanoic acid,5-bromo-1H-indol-3-yl ester
    • (5-bromo-1H-indol-3-yl) nonanoate
    • 5-BROMO-3-INDOXYL NONANOATE
    • 5-Bromo-3-indolyl nonanoate
    • B-8910
    • BIB1409
    • pelargonate de bromo-5 indoxyle
    • AMY41425
    • 133950-70-6
    • AKOS015914538
    • DTXSID80436242
    • CS-0337760
    • SCHEMBL5071939
    • 5-bromo-1H-indol-3-yl nonanoate
    • MFCD02683905
    • Nonanoic acid, 5-bromo-1H-indol-3-yl ester
    • MDL： MFCD02683905
    • Inchi： 1S/C17H22BrNO2/c1-2-3-4-5-6-7-8-17(20)21-16-12-19-15-10-9-13(18)11-14(15)16/h9-12,19H,2-8H2,1H3
    • InChI Key： KWRFASVVDCCIEJ-UHFFFAOYSA-N
    • SMILES： BrC1C=CC2=C(C=1)C(=CN2)OC(CCCCCCCC)=O

Computed Properties

  • Exact Mass: 351.08300
  • Monoisotopic Mass: 351.08339g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 9
  • Complexity: 324
  • 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: 6
  • Topological Polar Surface Area: 42.1?2

Experimental Properties

  • Color/Form: White to off white crystalline powder
  • Density: 1.298±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 464°Cat760mmHg
  • Flash Point: 234.4°C
  • Refractive Index: 1.578
  • Solubility: Insuluble (1.5E-3 g/L) (25 oC),
  • PSA: 42.09000
  • LogP: 5.58640

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Nonanoic acid,5-bromo-1H-indol-3-yl ester Suppliers

Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
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(CAS:133950-70-6)5-Bromo-3-indolyl nonanoate
Order Number:G02050004
Stock Status:in Stock
Quantity:1g;5g;25g
Purity:98%
Pricing Information Last Updated:Monday, 4 August 2025 16:35
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Additional information on Nonanoic acid,5-bromo-1H-indol-3-yl ester

Nonanoic Acid,5-Bromo-1H-Indol-3-Yl Ester: A Comprehensive Overview

The compound with CAS No. 133950-70-6, commonly referred to as Nonanoic Acid,5-Bromo-1H-Indol-3-Yl Ester, is a fascinating molecule that has garnered significant attention in the fields of organic chemistry and pharmacology. This ester derivative combines the structural features of nonanoic acid and a brominated indole moiety, making it a unique compound with potential applications in drug discovery and material science.

Nonanoic Acid is a saturated fatty acid with nine carbon atoms, while the 5-Bromo-1H-Indol group introduces a heterocyclic aromatic system with bromine substitution at the fifth position. The combination of these two groups results in a molecule with intriguing physical and chemical properties. Recent studies have highlighted its potential as a building block for synthesizing bioactive compounds, particularly in the development of anticancer agents and antimicrobial agents.

The synthesis of Nonanoic Acid,5-Bromo-1H-Indol-3-Yl Ester typically involves esterification reactions between nonanoic acid and 5-bromoindole derivatives. Researchers have optimized reaction conditions to achieve high yields and purity. The stability of this compound under various environmental conditions has also been investigated, revealing its suitability for use in diverse chemical processes.

One of the most promising applications of this compound lies in its ability to act as a precursor for more complex molecules. For instance, recent research has demonstrated its role in the synthesis of indole-based alkaloids, which are known for their pharmacological activities. By incorporating Nonanoic Acid,5-Bromo-1H-Indol-3-Yl Ester into larger molecular frameworks, scientists can explore its potential as an intermediate in drug design.

In terms of biological activity, preliminary studies suggest that this compound exhibits moderate antibacterial properties against gram-positive bacteria. Additionally, its interaction with cellular receptors has been studied using computational modeling techniques, providing insights into its potential therapeutic applications.

The structural versatility of Nonanoic Acid,5-Bromo-1H-Indol-3-Yl Ester also makes it an attractive candidate for materials science applications. For example, it can be used as a precursor for the synthesis of polymeric materials with tailored properties. Recent advancements in polymer chemistry have highlighted the importance of such compounds in developing advanced materials for electronics and biomedical devices.

In conclusion, Nonanoic Acid,5-Bromo-1H-Indol-3-Yl Ester is a multifaceted compound with significant potential across various scientific disciplines. Its unique structure, coupled with recent research findings, positions it as a valuable tool in both academic and industrial settings. As ongoing studies continue to uncover its full range of applications, this compound is poised to make meaningful contributions to the advancement of modern science.

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Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
(CAS:133950-70-6)5-Bromo-3-indolyl nonanoate
G02050004
Purity:98%
Quantity:1g;5g;25g
Price ($):Inquiry
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