碘苯托烷
TL;DR: 碘苯托烷 (CAS 135416-43-2) is a chemical compound with molecular formula C16H20INO2 and molecular weight 385.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘苯托烷
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
| Molecular Formula | C16H20INO2 |
|---|---|
| Molecular Weight | 385.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.0539 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 135416-43-2 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碘苯托烷 (CAS 135416-43-2), with molecular formula C16H20INO2 and molecular weight 385.05 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 碘苯托烷
Property Insights of 碘苯托烷
The XLogP value of 3.3 indicates that 碘苯托烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 碘苯托烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 碘苯托烷 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 碘苯托烷?
The CAS number of 碘苯托烷 is 135416-43-2.
What is the molecular formula of 碘苯托烷?
The molecular formula of 碘苯托烷 is C16H20INO2.
What is the molecular weight of 碘苯托烷?
The molecular weight of 碘苯托烷 is 385.05 g/mol.
Where can I buy 碘苯托烷?
You can request a quote for 碘苯托烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘苯托烷?
Yes, KEHONG BIO provides custom synthesis services for 碘苯托烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.