Iometopane I 123
TL;DR: Iometopane I 123 (CAS 136794-86-0) is a chemical compound with molecular formula C16H20INO2 and molecular weight 381.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Also Known As: Dopascan, Iometopane I 123, Iometopane (123I), Dopascan Injection, Iometopane I-123
| Molecular Formula | C16H20INO2 |
|---|---|
| Molecular Weight | 381.06 g/mol |
| LogP | 3.0305 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 381.055 |
| Heavy Atoms | 20 |
| Complexity | 501.70328 |
Chemical Identifiers
| CAS Number | 136794-86-0 |
|---|---|
| SMILES | CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)[123I])C(=O)OC |
Product Overview
Iometopane I 123 (CAS 136794-86-0), with molecular formula C16H20INO2 and molecular weight 381.06 g/mol. IUPAC: methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate.
Chemical Property Profile of Iometopane I 123
Property Insights of Iometopane I 123
The XLogP value of 3.0305 indicates that Iometopane I 123 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Iometopane I 123 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iometopane I 123 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
Frequently Asked Questions
What is the CAS number of Iometopane I 123?
The CAS number of Iometopane I 123 is 136794-86-0.
What is the molecular formula of Iometopane I 123?
The molecular formula of Iometopane I 123 is C16H20INO2.
What is the molecular weight of Iometopane I 123?
The molecular weight of Iometopane I 123 is 381.06 g/mol.
Where can I buy Iometopane I 123?
You can request a quote for Iometopane I 123 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iometopane I 123?
Yes, KEHONG BIO provides custom synthesis services for Iometopane I 123 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.