Cas no 98611-00-8 (1-(4-Iodophenyl)adamantane)

1-(4-Iodophenyl)adamantane is a halogenated adamantane derivative characterized by its rigid, cage-like adamantane core and an iodophenyl substituent. This compound is valued for its structural stability and versatility in organic synthesis, particularly in cross-coupling reactions such as Suzuki-Miyaura and Sonogashira couplings, where the iodine moiety serves as a reactive handle. Its adamantyl group enhances steric bulk and lipophilicity, making it useful in medicinal chemistry for designing bioactive molecules or as a building block in materials science. The compound exhibits high thermal stability and is typically employed in research applications requiring precise functionalization of aromatic systems.
1-(4-Iodophenyl)adamantane structure
1-(4-Iodophenyl)adamantane structure
Product Name:1-(4-Iodophenyl)adamantane
CAS No:98611-00-8
MF:C16H19I
MW:338.226536989212
CID:1023937
PubChem ID:15355852
Update Time:2025-06-13

1-(4-Iodophenyl)adamantane Chemical and Physical Properties

Names and Identifiers

    • 1-(4-Iodophenyl)adamantane
    • DTXSID40571921
    • 98611-00-8
    • 1-(4-Iodophenyl)tricyclo[3.3.1.1~3,7~]decane
    • SCHEMBL7709513
    • DB-328584
    • MDL: MFCD23135440
    • Inchi: 1S/C16H19I/c17-15-3-1-14(2-4-15)16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10H2
    • InChI Key: DMMVHLXCUOFVFH-UHFFFAOYSA-N
    • SMILES: IC1C=CC(=CC=1)C12CC3CC(CC(C3)C1)C2

Computed Properties

  • Exact Mass: 338.05315g/mol
  • Monoisotopic Mass: 338.05315g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 1
  • Complexity: 259
  • 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: 6.2
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.534±0.06 g/cm3 (20 oC 760 Torr),
  • Solubility: Insuluble (9.1E-5 g/L) (25 oC),

1-(4-Iodophenyl)adamantane Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
I073035-50mg
1-(4-Iodophenyl)adamantane
98611-00-8
50mg
$ 510.00 2022-06-04
TRC
I073035-100mg
1-(4-Iodophenyl)adamantane
98611-00-8
100mg
$ 850.00 2022-06-04
Chemenu
CM280393-1g
1-(4-Iodophenyl)adamantane
98611-00-8 95%
1g
$*** 2023-05-29
Chemenu
CM280393-1g
1-(4-Iodophenyl)adamantane
98611-00-8 95%
1g
$729 2021-06-15
Alichem
A019118462-1g
1-(4-Iodophenyl)adamantane
98611-00-8 95%
1g
$665.68 2023-08-31
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1750953-1g
1-(4-Iodophenyl)adamantane
98611-00-8 98%
1g
¥6531.00 2024-04-23

Additional information on 1-(4-Iodophenyl)adamantane

Recent Advances in the Study of 1-(4-Iodophenyl)adamantane (CAS: 98611-00-8) in Chemical Biology and Pharmaceutical Research

The compound 1-(4-Iodophenyl)adamantane (CAS: 98611-00-8) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This research brief aims to provide an overview of the latest findings related to this compound, focusing on its synthesis, biological activity, and potential as a drug candidate. The adamantane moiety, known for its rigid and lipophilic nature, combined with the iodophenyl group, offers a versatile scaffold for further chemical modifications and biological investigations.

Recent studies have explored the synthesis and characterization of 1-(4-Iodophenyl)adamantane, highlighting its potential as a building block for more complex molecules. Researchers have utilized this compound in the development of novel inhibitors targeting various enzymes and receptors. For instance, its incorporation into small-molecule libraries has facilitated the discovery of potent modulators of neurodegenerative disease-related proteins. The iodine atom in the para position of the phenyl ring provides a convenient handle for further functionalization via cross-coupling reactions, making it a valuable intermediate in medicinal chemistry.

In terms of biological activity, preliminary in vitro studies have demonstrated that 1-(4-Iodophenyl)adamantane exhibits promising interactions with specific protein targets. One notable study reported its affinity for the sigma-1 receptor, a protein implicated in neuroprotection and cancer. The compound's ability to modulate sigma-1 receptor activity suggests potential applications in treating neurological disorders and certain types of cancer. Additionally, its lipophilic nature enhances blood-brain barrier penetration, a critical factor for central nervous system-targeted therapies.

Further investigations into the pharmacokinetic properties of 1-(4-Iodophenyl)adamantane have revealed favorable stability and metabolic profiles. Animal studies have shown that the compound maintains adequate bioavailability and exhibits minimal toxicity at therapeutic doses. These findings support its potential as a lead compound for further optimization and development. Researchers are currently exploring derivatives of this compound to improve selectivity and potency, with the aim of advancing it into preclinical trials.

The versatility of 1-(4-Iodophenyl)adamantane extends beyond its therapeutic potential. It has also been employed as a molecular probe in imaging studies, leveraging the radioactive iodine isotope for positron emission tomography (PET) imaging. This application underscores its dual utility in both drug development and diagnostic imaging, making it a valuable tool in translational research. Recent advancements in radiolabeling techniques have further enhanced its utility in this domain.

In conclusion, 1-(4-Iodophenyl)adamantane (CAS: 98611-00-8) represents a promising compound in chemical biology and pharmaceutical research. Its unique structural features, combined with its diverse biological activities and applications, position it as a valuable candidate for further investigation. Ongoing research efforts are expected to yield additional insights into its mechanisms of action and therapeutic potential, paving the way for its eventual clinical application. This brief underscores the importance of continued exploration of this compound and its derivatives in addressing unmet medical needs.

Recommended suppliers
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Shanghai Aoguang Biotechnology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Aoguang Biotechnology Co., Ltd
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jiangsu Kolod Food Ingredients Co.,ltd
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd