Cas no 161829-92-1 (cis-Hexahydroisoindole Hydrochloride)

cis-Hexahydroisoindole Hydrochloride structure
161829-92-1 structure
Product Name:cis-Hexahydroisoindole Hydrochloride
CAS No:161829-92-1
MF:C8H16ClN
MW:161.672341346741
MDL:MFCD09026400
CID:135092
PubChem ID:45357936
Update Time:2025-07-21

cis-Hexahydroisoindole Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • cis-Octahydroisoindole Hydrochloride
    • 1H-Isoindole,octahydro-, hydrochloride (1:1), (3aR,7aS)-rel-
    • Cis-Hexahydroisoindoline Hydrogen Chloride
    • cis-Octahydro-1H-isoindole hydrochloride
    • cis-Octahydro-isoindole Hcl
    • (3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole,hydrochloride
    • Cis-hexahydroisoindolineHCL
    • (3aR,7aS)-octahydro-1H-isoindole hydrochloride
    • (3aR,7aS)-rel-Octahydro-1H-isoindole hydrochloride
    • (3aR,7aS)-octahydro-1H-isoindole hydrochloride (1:1)
    • (3aR,7aS)-rel-octahydro-1H-Isoindole, hydrochloride (1:1)
    • 1H-Isoindole,octahydro-, hydrochloride, (3aR,7aS)-rel- (9CI)
    • (3aR,7aS)-2,3,3a,4,5,6,7,7a-Octahydro-1H-isoindole hydrochloride
    • 5-[2-(4-{[(1S)-4-ethoxy-1-(ethoxycarbonyl)-4-oxobutyl]carbamoyl}phenyl)ethyl]-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-2-aminium
    • 1H-Isoindole, octahydro-, hydrochloride, (3aR,7aS)-rel-
    • cis-Octahydroisoindole HCl
    • Cis-hexahydroisoindole, HCl
    • cis-Hexahydroisoindoline HCl
    • KSC497C1L
    • OR53183
    • AB1004887
    • AB0052446
    • A883054
    • (3aR,7aS)-octahydro-1H-isoindolehydrochloride
    • AC7755
    • AKOS015915066
    • CS-0145443
    • Cis-hexahydroisoindole hydrochloride
    • SCHEMBL21460172
    • 2097437-01-7
    • MFCD09026400
    • (3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole;hydrochloride
    • DS-15518
    • AC-24415
    • (3aR,7aS)-Octahydro-1H-isoindole--hydrogen chloride (1/1)
    • EN300-245188
    • Z1198182421
    • (3Ar,7as)-octahydro-1H-isoindole HCl
    • rel-(3aR,7aS)-Octahydro-1H-isoindole hydrochloride
    • 161829-92-1
    • DTXSID40670009
    • cis-Hexahydroisoindole Hydrochloride
    • MDL: MFCD09026400
    • Inchi: 1S/C8H15N.ClH/c1-2-4-8-6-9-5-7(8)3-1;/h7-9H,1-6H2;1H/t7-,8+;
    • InChI Key: CLQIZUYXKFTUEB-KVZVIFLMSA-N
    • SMILES: Cl.N1C[C@H]2CCCC[C@H]2C1

Computed Properties

  • Exact Mass: 161.09700
  • Monoisotopic Mass: 161.097
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • 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

Experimental Properties

  • PSA: 12.03000
  • LogP: 2.52680

cis-Hexahydroisoindole Hydrochloride Security Information

cis-Hexahydroisoindole Hydrochloride Pricemore >>

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abcr
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Additional information on cis-Hexahydroisoindole Hydrochloride

Cis-Hexahydroisoindole Hydrochloride (CAS No. 161829-92-1): A Comprehensive Overview

Cis-Hexahydroisoindole Hydrochloride, identified by the Chemical Abstracts Service Number (CAS No.) 161829-92-1, is a compound of significant interest in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the class of hexahydroisoindole derivatives, which have garnered considerable attention due to their diverse pharmacological properties and potential applications in the development of novel therapeutic agents.

The structural framework of Cis-Hexahydroisoindole Hydrochloride consists of a six-membered saturated ring fused with an isoindole moiety. This unique structural configuration imparts distinct chemical and biological characteristics, making it a valuable scaffold for drug design. The hydrochloride salt form enhances its solubility and stability, facilitating its use in various pharmaceutical formulations.

In recent years, Cis-Hexahydroisoindole Hydrochloride has been extensively studied for its potential role in the treatment of neurological disorders. Research has demonstrated that this compound exhibits neuroprotective properties, making it a promising candidate for conditions such as Alzheimer's disease and Parkinson's disease. The ability of Cis-Hexahydroisoindole Hydrochloride to modulate neurotransmitter activity and protect against oxidative stress has been highlighted in multiple preclinical studies.

Moreover, the pharmacokinetic profile of Cis-Hexahydroisoindole Hydrochloride has been a focal point of investigation. Studies have shown that this compound exhibits good oral bioavailability and a favorable half-life, suggesting its potential for effective therapeutic administration. The compound's ability to cross the blood-brain barrier has also been noted, which is crucial for treating central nervous system disorders.

The synthesis of Cis-Hexahydroisoindole Hydrochloride involves multi-step organic reactions, typically starting from readily available precursors. Advanced synthetic methodologies have been developed to improve yield and purity, ensuring that the final product meets pharmaceutical-grade standards. These synthetic routes often involve catalytic hydrogenation and subsequent functional group transformations to achieve the desired molecular structure.

In the realm of medicinal chemistry, derivatives of Cis-Hexahydroisoindole Hydrochloride have been explored to enhance their pharmacological efficacy and reduce potential side effects. Structural modifications such as halogenation, alkylation, and aromatic ring substitutions have been investigated to optimize biological activity. These modifications aim to improve target specificity and therapeutic index, making Cis-Hexahydroisoindole Hydrochloride derivatives more suitable for clinical applications.

The toxicological profile of Cis-Hexahydroisoindole Hydrochloride has also been thoroughly evaluated. Acute and chronic toxicity studies have been conducted to assess its safety profile in vitro and in vivo. These studies have revealed that Cis-Hexahydroisoindole Hydrochloride is generally well-tolerated at therapeutic doses, with minimal adverse effects observed. However, further research is needed to fully understand its long-term safety implications.

The role of computational chemistry in the study of Cis-Hexahydroisoindole Hydrochloride cannot be overstated. Molecular modeling techniques have been employed to predict binding affinities, metabolic pathways, and potential drug-drug interactions. These computational approaches complement experimental data and provide valuable insights into the compound's mechanism of action.

Recent advancements in drug delivery systems have opened new avenues for utilizing Cis-Hexahydroisoindole Hydrochloride. Nanoparticle-based formulations and prodrugs have been explored to enhance bioavailability and targeted delivery to affected tissues. Such innovations hold promise for improving therapeutic outcomes in patients suffering from neurological disorders.

The industrial production of Cis-Hexahydroisoindole Hydrochloride adheres to stringent quality control measures to ensure consistency and purity. Good Manufacturing Practices (GMP) are followed to guarantee that the final product meets regulatory standards for pharmaceutical use. Continuous process optimization efforts are ongoing to improve efficiency and reduce environmental impact.

In conclusion, Cis-Hexahydroisoindole Hydrochloride (CAS No. 161829-92-1) represents a significant advancement in pharmaceutical research with its unique structural properties and diverse therapeutic applications. Ongoing studies continue to uncover new insights into its pharmacological effects, synthesis methods, and potential clinical uses. As research progresses, this compound is poised to play a crucial role in the development of novel treatments for various diseases.

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