Acetyloxycinchonine
TL;DR: Acetyloxycinchonine (CAS 83348-44-1) is a chemical compound with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-yl] acetate
Also Known As: Acetyloxycinchonine, Cupreidine 6'-acetate, 6'-Acetyloxycinchonine, 6'-O-Acetylcupreidine, 9-Hydroxycinchonan-6'-yl acetate
| Molecular Formula | C21H24N2O3 |
|---|---|
| Molecular Weight | 352.18 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 62.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 352.17868 |
| Heavy Atoms | 26 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 83348-44-1 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O |
| InChIKey | SVIZQPKPKOEWBC-UHFFFAOYSA-N |
Product Overview
Acetyloxycinchonine (CAS 83348-44-1), with molecular formula C21H24N2O3 and molecular weight 352.18 g/mol. IUPAC: [4-[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-yl] acetate.
Chemical Property Profile of Acetyloxycinchonine
Property Insights of Acetyloxycinchonine
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyloxycinchonine. The TPSA of 62.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetyloxycinchonine. Following Lipinski's Rule of Five, Acetyloxycinchonine has 1 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 Acetyloxycinchonine?
The CAS number of Acetyloxycinchonine is 83348-44-1.
What is the molecular formula of Acetyloxycinchonine?
The molecular formula of Acetyloxycinchonine is C21H24N2O3.
What is the molecular weight of Acetyloxycinchonine?
The molecular weight of Acetyloxycinchonine is 352.18 g/mol.
Where can I buy Acetyloxycinchonine?
You can request a quote for Acetyloxycinchonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyloxycinchonine?
Yes, KEHONG BIO provides custom synthesis services for Acetyloxycinchonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.