Cas no 2641-40-9 (Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI))

Cholest-5-en-3-ol (3β)-, 9-anthracenecarboxylate (9CI) is a steroidal derivative combining a cholesterol backbone with an anthracene-based ester moiety. This compound is of interest in organic and medicinal chemistry due to its hybrid structure, which integrates the lipophilic properties of cholesterol with the photophysical characteristics of anthracene. Its unique molecular architecture makes it suitable for applications in fluorescence labeling, liquid crystal research, and as a precursor in the synthesis of steroidal probes. The anthracene group enhances UV-vis absorption and emission properties, while the steroidal framework ensures compatibility with lipid membranes, offering potential utility in biophysical and materials science studies.
Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI) structure
2641-40-9 structure
Product Name:Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI)
CAS No:2641-40-9
MF:C42H54O2
MW:590.876972675323
MDL:MFCD00674495
CID:253228
PubChem ID:10289946
Update Time:2025-06-11

Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI) Chemical and Physical Properties

Names and Identifiers

    • Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI)
    • [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] anthracene-9-carboxylate
    • CHOLESTERYL 9-ANTHRACENECARBOXYLATE ---POWDER---
    • 9-Anthracencarbonsaeure-cholesterylester
    • Cholesteryl 9-anthracenecarboxylate
    • FR-2381
    • (3beta)-Cholest-5-en-3-yl anthracene-9-carboxylate
    • SCHEMBL592392
    • 9-Anthracenecarboxylic acid cholesteryl ester
    • 2641-40-9
    • DTXSID20437793
    • Cholesteryl 9-anthracene carboxylate
    • MFCD00674495
    • AKOS032953563
    • CHOLESTERYL9-ANTHRACENECARBOXYLATE
    • MDL: MFCD00674495
    • Inchi: 1S/C42H54O2/c1-27(2)11-10-12-28(3)36-19-20-37-35-18-17-31-26-32(21-23-41(31,4)38(35)22-24-42(36,37)5)44-40(43)39-33-15-8-6-13-29(33)25-30-14-7-9-16-34(30)39/h6-9,13-17,25,27-28,32,35-38H,10-12,18-24,26H2,1-5H3/t28-,32+,35+,36-,37+,38+,41+,42-/m1/s1
    • InChI Key: FMGWOPYZVAWWNP-SKWQCYOWSA-N
    • SMILES: O(C(C1=C2C=CC=CC2=CC2=CC=CC=C12)=O)[C@H]1CC[C@@]2(C)C(C1)=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21

Computed Properties

  • Exact Mass: 590.41200
  • Monoisotopic Mass: 590.412381
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 44
  • Rotatable Bond Count: 8
  • Complexity: 1040
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 8
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 26.3
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 13.3

Experimental Properties

  • Color/Form: Not available
  • Melting Point: 196-197?°C(lit.)
  • Solubility: DMF: soluble
  • PSA: 26.30000
  • LogP: 11.55980
  • Solubility: Not available

Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI) Security Information

  • WGK Germany:3
  • Safety Instruction: S22-S24/25
  • FLUKA BRAND F CODES:8-10
  • Storage Condition:?20°C

Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI) Pricemore >>

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Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI) Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:2641-40-9)Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI)
Order Number:A1209648
Stock Status:in Stock
Quantity:5g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:58
Price ($):206.0

Additional information on Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI)

Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI) and Its Significance in Modern Chemical Research

Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI), a complex organic compound with the CAS number 2641-40-9, has garnered significant attention in the field of chemical biology and pharmaceutical research. This heterocyclic derivative combines the structural features of cholestane and anthracene, making it a versatile molecule with potential applications in drug discovery and material science. The unique arrangement of its functional groups allows for diverse chemical modifications, which has spurred extensive investigation into its properties and applications.

The molecular structure of Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI) consists of a steroidal backbone linked to an anthracene moiety. This combination imparts distinct physicochemical properties, including solubility, stability, and reactivity, which are critical factors in its utility as a research tool. The steroid core provides a scaffold that can be modified to enhance binding affinity to biological targets, while the anthracene group offers opportunities for fluorescence-based assays and photochemical studies.

In recent years, the pharmaceutical industry has shown increasing interest in bioconjugates like Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI) due to their potential as probes and intermediates in drug development. Researchers have leveraged its dual functionality to create novel therapeutic agents targeting various diseases. For instance, studies have explored its role in modulating enzyme activity and receptor binding, providing insights into mechanisms underlying conditions such as hyperlipidemia and inflammation.

One of the most compelling aspects of Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI) is its fluorescent properties, which have been exploited in high-throughput screening assays. The anthracene moiety emits light upon excitation, allowing researchers to monitor interactions between the compound and biological molecules with high sensitivity. This capability has been particularly valuable in identifying lead compounds for drug discovery pipelines. Additionally, the steroidal component enhances membrane permeability, making it an attractive candidate for delivering bioactive molecules across biological barriers.

The synthesis of Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI) involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic techniques, such as palladium-catalyzed cross-coupling reactions and stereoselective transformations, have been employed to achieve high yields and purity. These methodologies highlight the compound's significance as a benchmark for synthetic chemists seeking to develop novel molecular architectures.

Recent academic research has begun to explore the potential of Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI) in materials science. Its ability to form stable complexes with metals and other small molecules has led to investigations into its use as a ligand in catalysis. Furthermore, its photophysical properties make it a candidate for developing organic semiconductors and optoelectronic devices. These applications underscore the compound's versatility beyond traditional pharmaceutical contexts.

The toxicological profile of Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI) is another area of active investigation. While preliminary studies suggest low toxicity at moderate concentrations, further research is needed to fully understand its safety profile. This is particularly important given its potential use in clinical settings. Researchers are employing computational modeling and experimental techniques to assess its metabolic stability and potential side effects.

In conclusion, Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI) represents a fascinating example of how structural innovation can yield compounds with broad utility across multiple scientific disciplines. Its unique combination of cholestanic and anthracenic features opens doors for advancements in drug development, materials science, and biochemical research. As synthetic methodologies continue to evolve, it is likely that new applications for this remarkable molecule will emerge.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:2641-40-9)Cholest-5-en-3-ol (3b)-, 9-anthracenecarboxylate (9CI)
A1209648
Purity:99%
Quantity:5g
Price ($):206.0
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