(8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate
TL;DR: (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate (CAS 549-64-4) is a chemical compound with molecular formula C29H32N2O4 and molecular weight 472.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;(E)-3-phenylprop-2-enoic acid
Also Known As: EINECS 208-974-0, (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate, 2-Propenoic acid, 3-phenyl-, compd with (8alpha,9R)-6'-methoxycinchonan-9-ol (1:1), Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, mono(3-phenyl-2-propenoate) (salt), (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol,(E)-3-phenylprop-2-enoic acid
| Molecular Formula | C29H32N2O4 |
|---|---|
| Molecular Weight | 472.24 g/mol |
| LogP | 4.9576 |
| Topological Polar Surface Area | 82.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 472.2362 |
| Heavy Atoms | 35 |
| Complexity | 1193.7659 |
Chemical Identifiers
| CAS Number | 549-64-4 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.C1=CC=C(C=C1)/C=C/C(=O)O |
Product Overview
(8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate (CAS 549-64-4), with molecular formula C29H32N2O4 and molecular weight 472.24 g/mol. IUPAC: (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;(E)-3-phenylprop-2-enoic acid.
Chemical Property Profile of (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate
Property Insights of (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate
The XLogP value of 4.9576 indicates that (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate. Following Lipinski's Rule of Five, (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate has 2 hydrogen bond donor(s) and 5 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 (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate?
The CAS number of (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate is 549-64-4.
What is the molecular formula of (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate?
The molecular formula of (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate is C29H32N2O4.
What is the molecular weight of (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate?
The molecular weight of (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate is 472.24 g/mol.
Where can I buy (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate?
You can request a quote for (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate?
Yes, KEHONG BIO provides custom synthesis services for (8alpha,9R)-9-Hydroxy-6'-methoxycinchonanium cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.