Cinchonine ethiodide
TL;DR: Cinchonine ethiodide (CAS 73803-49-3) is a chemical compound with molecular formula C21H27IN2O and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(R)-(5-ethenyl-1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol iodide
Also Known As: Cinchonine ethiodide, (9S)-9-Hydroxy-1-ethylcinchonan-1-ium iodide, Cinchonan-1-ium, 1-ethyl-9-hydroxy-, iodide, (9S)-, Cinchonanium, 1-ethyl-9-hydroxy-, iodide, (9S)-, (R)-(5-ethenyl-1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol iodide
| Molecular Formula | C21H27IN2O |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.11682 |
| Heavy Atoms | 25 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 73803-49-3 |
|---|---|
| SMILES | CC[N+]12CCC(CC1[C@@H](C3=CC=NC4=CC=CC=C34)O)C(C2)C=C.[I-] |
| InChIKey | CIROVDBLKVOBDQ-KHFHOJMMSA-M |
Product Overview
Cinchonine ethiodide (CAS 73803-49-3), with molecular formula C21H27IN2O and molecular weight 450.12 g/mol. IUPAC: (R)-(5-ethenyl-1-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol iodide.
Chemical Property Profile of Cinchonine ethiodide
Property Insights of Cinchonine ethiodide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinchonine ethiodide. With a topological polar surface area (TPSA) of 33.1 Ų, Cinchonine ethiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinchonine ethiodide has 1 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 Cinchonine ethiodide?
The CAS number of Cinchonine ethiodide is 73803-49-3.
What is the molecular formula of Cinchonine ethiodide?
The molecular formula of Cinchonine ethiodide is C21H27IN2O.
What is the molecular weight of Cinchonine ethiodide?
The molecular weight of Cinchonine ethiodide is 450.12 g/mol.
Where can I buy Cinchonine ethiodide?
You can request a quote for Cinchonine ethiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinchonine ethiodide?
Yes, KEHONG BIO provides custom synthesis services for Cinchonine ethiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.