Cas no 10479-62-6 ((3aR,7aR)-Octahydro-1H-isoindole Hydrochloridea)
(3aR,7aR)-Octahydro-1H-isoindole Hydrochloridea Chemical and Physical Properties
Names and Identifiers
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- ISOINDOLINE HCL SALT
- 2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole hydrochloride
- A801059
- AM84545
- FT-0688210
- NSC25607
- NSC-25607
- Trans-Octahydro-1H-Isoindole Hydrochloride
- Trans-Octahydro-1H-Isoindole Hydrochloride(WXC00435)
- (3aR,7aR)-Octahydro-1H-isoindole Hydrochloridea
- (3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole;hydrochloride
- 10479-62-6
- trans-Octahydro-1H-isoindolehydrochloride
-
- MDL: MFCD29917003
- Inchi: 1S/C8H15N.ClH/c1-2-4-8-6-9-5-7(8)3-1;/h7-9H,1-6H2;1H/t7-,8-;/m1./s1
- InChI Key: CLQIZUYXKFTUEB-SCLLHFNJSA-N
- SMILES: Cl.N1C[C@H]2CCCC[C@@H]2C1
Computed Properties
- Exact Mass: 161.0971272g/mol
- Monoisotopic Mass: 161.0971272g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 88.7
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 12?2
(3aR,7aR)-Octahydro-1H-isoindole Hydrochloridea Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM229947-1g |
trans-Octahydro-1H-isoindole hydrochloride |
10479-62-6 | 95% | 1g |
$421 | 2021-06-09 | |
| Chemenu | CM229947-5g |
trans-Octahydro-1H-isoindole hydrochloride |
10479-62-6 | 95% | 5g |
$1262 | 2021-06-09 | |
| Chemenu | CM229947-250mg |
trans-Octahydro-1H-isoindole hydrochloride |
10479-62-6 | 95% | 250mg |
$218 | 2023-02-19 | |
| Chemenu | CM229947-1g |
trans-Octahydro-1H-isoindole hydrochloride |
10479-62-6 | 95% | 1g |
$543 | 2023-02-19 | |
| TRC | A794955-10mg |
(3aR,7aR)-Octahydro-1H-isoindole Hydrochloridea |
10479-62-6 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | A794955-50mg |
(3aR,7aR)-Octahydro-1H-isoindole Hydrochloridea |
10479-62-6 | 50mg |
$ 135.00 | 2022-06-07 | ||
| TRC | A794955-100mg |
(3aR,7aR)-Octahydro-1H-isoindole Hydrochloridea |
10479-62-6 | 100mg |
$ 230.00 | 2022-06-07 | ||
| Alichem | A199009214-1g |
trans-Octahydro-1H-isoindole hydrochloride |
10479-62-6 | 95% | 1g |
$468.00 | 2023-09-04 | |
| Alichem | A199009214-5g |
trans-Octahydro-1H-isoindole hydrochloride |
10479-62-6 | 95% | 5g |
$1390.50 | 2023-09-04 | |
| eNovation Chemicals LLC | D589330-1g |
trans-Octahydro-1H-isoindole hydrochloride |
10479-62-6 | 95% | 1g |
$530 | 2024-08-03 |
(3aR,7aR)-Octahydro-1H-isoindole Hydrochloridea Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
Additional information on (3aR,7aR)-Octahydro-1H-isoindole Hydrochloridea
Comprehensive Guide to (3aR,7aR)-Octahydro-1H-isoindole Hydrochloride (CAS No. 10479-62-6): Properties, Applications, and Market Insights
(3aR,7aR)-Octahydro-1H-isoindole Hydrochloride (CAS No. 10479-62-6) is a specialized organic compound with a unique bicyclic structure. This chiral building block has gained significant attention in pharmaceutical research due to its rigid octahydroisoindole scaffold, which serves as a valuable framework for drug discovery. The hydrochloride salt form enhances its stability and solubility, making it particularly useful in various medicinal chemistry applications.
The compound's stereospecific configuration at the 3a and 7a positions creates distinct spatial orientations that are crucial for biological activity. Researchers have identified this structural motif in several bioactive molecules, particularly those targeting the central nervous system. Recent studies suggest potential applications in developing neuromodulators and receptor-specific compounds, aligning with current trends in precision medicine and personalized therapeutics.
From a synthetic chemistry perspective, (3aR,7aR)-Octahydro-1H-isoindole Hydrochloride serves as a versatile intermediate for constructing complex molecular architectures. Its conformationally restricted nature makes it valuable for creating shape-defined pharmacophores, a growing area of interest in modern drug design. The compound's stability under various conditions has made it a preferred choice for high-throughput screening libraries and combinatorial chemistry approaches.
The global market for pharmaceutical intermediates like (3aR,7aR)-Octahydro-1H-isoindole Hydrochloride has shown steady growth, driven by increasing demand for specialty chemicals in drug development. Industry reports indicate particular interest from companies focusing on neurological disorders and psychiatric medications, where the compound's structural features may offer advantages in blood-brain barrier penetration and target engagement.
Quality control of 10479-62-6 typically involves advanced analytical techniques including HPLC, chiral chromatography, and mass spectrometry to ensure enantiomeric purity and chemical integrity. The compound's physicochemical properties—including its melting point, solubility profile, and stability data—are well-documented in scientific literature, providing researchers with essential parameters for experimental design.
Recent innovations in asymmetric synthesis have improved production methods for (3aR,7aR)-Octahydro-1H-isoindole Hydrochloride, making it more accessible to research institutions and pharmaceutical developers. These advancements align with the industry's push toward green chemistry principles, reducing waste and improving atom economy in synthetic pathways.
Storage and handling recommendations for this compound emphasize protection from moisture and maintenance at controlled temperatures. While not classified as hazardous under standard regulations, proper laboratory practices should always be followed when working with any chemical substance, including the use of appropriate personal protective equipment.
The scientific community continues to explore new applications for (3aR,7aR)-Octahydro-1H-isoindole Hydrochloride, particularly in the context of fragment-based drug discovery and structure-activity relationship studies. Its unique three-dimensional characteristics make it a compelling subject for computational chemistry and molecular modeling investigations.
For researchers sourcing this material, verification of CAS 10479-62-6 authenticity through certified suppliers is recommended. The compound is typically available in research quantities with detailed certificates of analysis documenting purity levels and stereochemical composition. Current market intelligence suggests stable availability with lead times varying by manufacturer and geographic region.
Emerging trends in bioconjugation chemistry have opened additional possibilities for utilizing (3aR,7aR)-Octahydro-1H-isoindole Hydrochloride in developing targeted therapies and diagnostic agents. The compound's compatibility with various cross-coupling reactions and click chemistry approaches enhances its utility in modern drug discovery platforms.
Academic and industrial researchers frequently inquire about synthetic protocols for modifying the octahydroisoindole core, reflecting growing interest in structure diversification. Published methodologies demonstrate various functionalization strategies at different positions of the bicyclic system, enabling creation of diverse chemical libraries for biological screening.
As the pharmaceutical industry increasingly focuses on three-dimensional molecular complexity, compounds like (3aR,7aR)-Octahydro-1H-isoindole Hydrochloride gain importance for their ability to provide spatial control in molecular interactions. This trend aligns with current drug discovery paradigms emphasizing molecular shape as a critical factor in biological activity and selectivity.
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