9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate
TL;DR: 9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate (CAS 85365-53-3) is a chemical compound with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,6R)-3-ethyl-6-[(S)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl] acetate
Also Known As: Hydroxy-3R O-acetyl dihydro-10,11 quinidine, Hydroxy-3R O-acetyl dihydro-10,11 quinidine [French], (3-alpha,9S)-10,11-Dihydro-6'-methoxycinchonan-3,9-diol 3-acetate, 9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate, Cinchonan-3,9-diol, 10,11-dihydro-6'-methoxy-, 3-acetate, (3-alpha,9S)-
| Molecular Formula | C22H28N2O4 |
|---|---|
| Molecular Weight | 384.20 g/mol |
| LogP | 3.0829 |
| Topological Polar Surface Area | 71.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.2049 |
| Heavy Atoms | 28 |
| Complexity | 885.9658 |
Chemical Identifiers
| CAS Number | 85365-53-3 |
|---|---|
| SMILES | CC[C@@]1(CN2CCC1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O)OC(=O)C |
Product Overview
9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate (CAS 85365-53-3), with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol. IUPAC: [(3R,6R)-3-ethyl-6-[(S)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-yl] acetate.
Chemical Property Profile of 9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate
Property Insights of 9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate
The XLogP value of 3.0829 indicates that 9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate. Following Lipinski's Rule of Five, 9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate has 1 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 9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate?
The CAS number of 9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate is 85365-53-3.
What is the molecular formula of 9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate?
The molecular formula of 9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate is C22H28N2O4.
What is the molecular weight of 9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate?
The molecular weight of 9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate is 384.20 g/mol.
Where can I buy 9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate?
You can request a quote for 9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 9-Hydroxy-6'-methoxy-10,11-dihydrocinchonan-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.