Cas no 167496-73-3 (Pentacyclo[4.2.0.02,5.03,8.04,7]octanemethanol,4-fluoro- (9CI))

Pentacyclo[4.2.0.02,5.03,8.04,7]octanemethanol,4-fluoro- (9CI) structure
167496-73-3 structure
Product Name:Pentacyclo[4.2.0.02,5.03,8.04,7]octanemethanol,4-fluoro- (9CI)
CAS No:167496-73-3
MF:C9H9FO
MW:152.165566205978
CID:110954
PubChem ID:10464507
Update Time:2025-07-09

Pentacyclo[4.2.0.02,5.03,8.04,7]octanemethanol,4-fluoro- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Pentacyclo[4.2.0.02,5.03,8.04,7]octanemethanol,4-fluoro- (9CI)
    • Pentacyclo[4.2.0.02,5.03,8.04,7]octanemethanol, 4-fluoro- (9CI)
    • ((1s,2R,3r,8S)-4-fluorocuban-1-yl)methanol
    • (4-fluorocuban-1-yl)methanol
    • 167496-73-3
    • SCHEMBL25167735
    • Inchi: 1S/C9H9FO/c10-9-5-2-6(9)4-7(9)3(5)8(2,4)1-11/h2-7,11H,1H2
    • InChI Key: ZDTXBKWQVYSGMZ-UHFFFAOYSA-N
    • SMILES: FC12C3C4C1C1C2C3C14CO

Computed Properties

  • Exact Mass: 152.06377
  • Monoisotopic Mass: 152.063743068g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 251
  • 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: 0.3
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23

Pentacyclo[4.2.0.02,5.03,8.04,7]octanemethanol,4-fluoro- (9CI) Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Apollo Scientific
PC405708-250mg
((1S,2R,3R,8S)-4-Fluorocuban-1-yl)methanol
167496-73-3 95%
250mg
£1228.00 2023-09-02
Apollo Scientific
PC405708-1g
((1S,2R,3R,8S)-4-Fluorocuban-1-yl)methanol
167496-73-3 95%
1g
£3100.00 2023-09-02

Additional information on Pentacyclo[4.2.0.02,5.03,8.04,7]octanemethanol,4-fluoro- (9CI)

Pentacyclo[4.2.0.02,5.03,8.04,7]octanemethanol, 4-fluoro- (9CI) - A Comprehensive Overview

Pentacyclo[4.2.0.02,5.03,8.04,7]octanemethanol, also known as 4-fluoro-pentacyclo[4.2.0.02,?·?3,?·??,?]octanemethanol, is a highly complex and unique organic compound with the CAS registry number 167496-73-3. This compound belongs to the class of bicyclic and polycyclic alcohols and has garnered significant attention in the fields of organic chemistry and pharmacology due to its intricate structure and potential applications in drug design.

The molecular structure of Pentacyclo[4.2.0.02,?·?3,?·??,?]octanemethanol is characterized by a highly strained pentacyclic framework with multiple fused rings and a hydroxymethyl group attached at the 4-position of the fluorinated ring system (fluorine atom substitution). This structural complexity makes it an interesting subject for studying the relationship between molecular architecture and biological activity.

Recent studies have highlighted the potential of this compound as a lead molecule in the development of novel therapeutic agents targeting various disease states such as cancer and neurodegenerative disorders (therapeutic applications). The presence of a fluorine atom at the 4-position introduces unique electronic properties to the molecule (fluorine substitution effects), which can enhance its binding affinity to specific biological targets.

In terms of synthesis (synthesis methods for pentacyclic compounds), researchers have employed various strategies including ring-closing metathesis and multi-component reactions to construct the pentacyclic framework efficiently (ring-closing metathesis in organic synthesis). These methods have significantly improved the yield and purity of the compound compared to traditional approaches.

The pharmacokinetic properties of Pentacyclo[4.2.0.02,?·?3,?·??,?]octanemethanol have been extensively studied in preclinical models (pharmacokinetics in preclinical studies). Results indicate that the compound exhibits favorable absorption profiles and moderate stability in biological systems (biodistribution studies). However, further research is required to fully understand its metabolic pathways and potential toxicity profiles.

In conclusion, Pentacyclo[4.2.0.02,?·?3,?·??,⑦]octanemethanol, with its unique structural features and promising biological activity profiles (biological activity profiles of complex molecules strong>), represents a valuable addition to the arsenal of compounds being explored for drug discovery purposes.

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