Iometopane
TL;DR: Iometopane (CAS 135416-43-2) is a chemical compound with molecular formula C16H20INO2 and molecular weight 385.0539 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: Iometopane, beta-CIT, Dopascan Injection, .beta.-cit, Iometopane I 123
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H20INO2 |
| Molecular Weight | 385.0539 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.0539 Da |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
| SMILES | CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)I)C(=O)OC |
| InChIKey | SIIICDNNMDMWCI-YJNKXOJESA-N |
Chemical Property Profile of Iometopane
Property Insights of Iometopane
The XLogP value of 3.3 indicates that Iometopane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Iometopane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iometopane has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Iometopane?
The CAS number of Iometopane is 135416-43-2.
What is the molecular formula of Iometopane?
The molecular formula of Iometopane is C16H20INO2.
What is the molecular weight of Iometopane?
The molecular weight of Iometopane is 385.0539 g/mol.
Where can I buy Iometopane?
You can request a quote for Iometopane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Iometopane?
Yes, CoreyChem provides custom synthesis services for Iometopane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.