奎尼丁
TL;DR: 奎尼丁 (CAS 56-54-2) is a chemical compound with molecular formula C20H24N2O2 and molecular weight 324.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
奎尼丁
(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
Also Known As: quinidine, Conchinin, Conquinine, Chinidin, Pitayine
| Molecular Formula | C20H24N2O2 |
|---|---|
| Molecular Weight | 324.18 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.18378 |
| Heavy Atoms | 24 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 56-54-2 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3CC4CCN3C[C@@H]4C=C)O |
| InChIKey | LOUPRKONTZGTKE-NBGVHYBESA-N |
Product Overview
奎尼丁 (CAS 56-54-2), with molecular formula C20H24N2O2 and molecular weight 324.18 g/mol. IUPAC: (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol.
Chemical Property Profile of 奎尼丁
Property Insights of 奎尼丁
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 奎尼丁. With a topological polar surface area (TPSA) of 45.6 Ų, 奎尼丁 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 奎尼丁 has 1 hydrogen bond donor(s) and 4 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 奎尼丁?
The CAS number of 奎尼丁 is 56-54-2.
What is the molecular formula of 奎尼丁?
The molecular formula of 奎尼丁 is C20H24N2O2.
What is the molecular weight of 奎尼丁?
The molecular weight of 奎尼丁 is 324.18 g/mol.
Where can I buy 奎尼丁?
You can request a quote for 奎尼丁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 奎尼丁?
Yes, KEHONG BIO provides custom synthesis services for 奎尼丁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.