RefChem:386778
TL;DR: RefChem:386778 (CAS 3216-06-6) is a chemical compound with molecular formula C23H27F3INO and molecular weight 517.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8,8-dimethyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]-8-azoniabicyclo[3.2.1]octane iodide
Also Known As: 8-Methyl-3-(alpha-(alpha,alpha,alpha-trifluoro-o-tolyl)benzyloxy)tropanium iodide, Tropanium, 8-methyl-3-(alpha-(alpha,alpha,alpha-trifluoro-o-tolyl)benzyloxy)-, iodide, 8,8-dimethyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]-8-azoniabicyclo[3.2.1]octane iodide, 8,8-Dimethyl-3-{phenyl[2-(trifluoromethyl)phenyl]methoxy}-8-azabicyclo[3.2.1]octan-8-ium iodide, RefChem:386778
| Molecular Formula | C23H27F3INO |
|---|---|
| Molecular Weight | 517.11 g/mol |
| LogP | 2.5852 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 517.10895 |
| Heavy Atoms | 29 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 3216-06-6 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4C(F)(F)F)C.[I-] |
| InChIKey | LNYFBWDFBMEPMC-UHFFFAOYSA-M |
Product Overview
RefChem:386778 (CAS 3216-06-6), with molecular formula C23H27F3INO and molecular weight 517.11 g/mol. IUPAC: 8,8-dimethyl-3-[phenyl-[2-(trifluoromethyl)phenyl]methoxy]-8-azoniabicyclo[3.2.1]octane iodide.
Chemical Property Profile of RefChem:386778
Property Insights of RefChem:386778
The XLogP value of 2.5852 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:386778. With a topological polar surface area (TPSA) of 9.2 Ų, RefChem:386778 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:386778 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:386778?
The CAS number of RefChem:386778 is 3216-06-6.
What is the molecular formula of RefChem:386778?
The molecular formula of RefChem:386778 is C23H27F3INO.
What is the molecular weight of RefChem:386778?
The molecular weight of RefChem:386778 is 517.11 g/mol.
Where can I buy RefChem:386778?
You can request a quote for RefChem:386778 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:386778?
Yes, KEHONG BIO provides custom synthesis services for RefChem:386778 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.