(9S)-9-Hydroxy-6'-methoxycinchonanium nitrate
TL;DR: (9S)-9-Hydroxy-6'-methoxycinchonanium nitrate (CAS 58748-01-9) is a chemical compound with molecular formula C20H25N3O5 and molecular weight 387.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;nitric acid
Also Known As: EINECS 261-418-9, (9S)-9-Hydroxy-6'-methoxycinchonanium nitrate, Nitric acid--6'-methoxycinchonan-9-ol (1/1), Nitric acid--(9S)-6'-methoxycinchonan-9-ol (1/1), (S)-(5-ethenyl-1-azabicyclo[2.2.2]oct-7-yl)-(6-methoxyquinolin-4-yl)methanol; nitric acid
| Molecular Formula | C20H25N3O5 |
|---|---|
| Molecular Weight | 387.18 g/mol |
| LogP | 2.8255 |
| Topological Polar Surface Area | 108.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.1794 |
| Heavy Atoms | 28 |
| Complexity | 854.8501 |
Chemical Identifiers
| CAS Number | 58748-01-9 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@@H](C3CC4CCN3CC4C=C)O.[N+](=O)(O)[O-] |
Product Overview
(9S)-9-Hydroxy-6'-methoxycinchonanium nitrate (CAS 58748-01-9), with molecular formula C20H25N3O5 and molecular weight 387.18 g/mol. IUPAC: (S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;nitric acid.
Chemical Property Profile of (9S)-9-Hydroxy-6'-methoxycinchonanium nitrate
Property Insights of (9S)-9-Hydroxy-6'-methoxycinchonanium nitrate
The XLogP value of 2.8255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (9S)-9-Hydroxy-6'-methoxycinchonanium nitrate. The TPSA of 108.96 Ų falls within the moderate polarity range, balancing permeability and solubility for (9S)-9-Hydroxy-6'-methoxycinchonanium nitrate. Following Lipinski's Rule of Five, (9S)-9-Hydroxy-6'-methoxycinchonanium nitrate has 2 hydrogen bond donor(s) and 6 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 (9S)-9-Hydroxy-6'-methoxycinchonanium nitrate?
The CAS number of (9S)-9-Hydroxy-6'-methoxycinchonanium nitrate is 58748-01-9.
What is the molecular formula of (9S)-9-Hydroxy-6'-methoxycinchonanium nitrate?
The molecular formula of (9S)-9-Hydroxy-6'-methoxycinchonanium nitrate is C20H25N3O5.
What is the molecular weight of (9S)-9-Hydroxy-6'-methoxycinchonanium nitrate?
The molecular weight of (9S)-9-Hydroxy-6'-methoxycinchonanium nitrate is 387.18 g/mol.
Where can I buy (9S)-9-Hydroxy-6'-methoxycinchonanium nitrate?
You can request a quote for (9S)-9-Hydroxy-6'-methoxycinchonanium nitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (9S)-9-Hydroxy-6'-methoxycinchonanium nitrate?
Yes, KEHONG BIO provides custom synthesis services for (9S)-9-Hydroxy-6'-methoxycinchonanium nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.