Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)-
TL;DR: Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)- (CAS 73804-28-1) is a chemical compound with molecular formula C20H25IN2O and molecular weight 436.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(R)-(5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol iodide
Also Known As: Cinchonine methiodide, (9S)-9-Hydroxy-1-methylcinchonan-1-ium iodide, Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)-, Cinchonanium, 9-hydroxy-1-methyl-, iodide, (9S)-, (R)-(5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol iodide
| Molecular Formula | C20H25IN2O |
|---|---|
| Molecular Weight | 436.10 g/mol |
| LogP | 0.31 |
| Topological Polar Surface Area | 33.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 436.10117 |
| Heavy Atoms | 24 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 73804-28-1 |
|---|---|
| SMILES | C[N+]12CCC(CC1[C@@H](C3=CC=NC4=CC=CC=C34)O)C(C2)C=C.[I-] |
| InChIKey | ZGQDJVPJNYXGNV-MWKIIQQDSA-M |
Product Overview
Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)- (CAS 73804-28-1), with molecular formula C20H25IN2O and molecular weight 436.10 g/mol. IUPAC: (R)-(5-ethenyl-1-methyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol iodide.
Chemical Property Profile of Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)-
Property Insights of Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)-
The XLogP value of 0.31 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)-. With a topological polar surface area (TPSA) of 33.1 Ų, Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)- 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 Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)-?
The CAS number of Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)- is 73804-28-1.
What is the molecular formula of Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)-?
The molecular formula of Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)- is C20H25IN2O.
What is the molecular weight of Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)-?
The molecular weight of Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)- is 436.10 g/mol.
Where can I buy Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)-?
You can request a quote for Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)-?
Yes, KEHONG BIO provides custom synthesis services for Cinchonan-1-ium, 9-hydroxy-1-methyl-, iodide, (9S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.