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) Chemical and Physical Properties
Names and Identifiers
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- 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
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- 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 |
Pentacyclo[4.2.0.02,5.03,8.04,7]octanemethanol,4-fluoro- (9CI) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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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