Apoquinine, ethyl-, dihydrochloride
TL;DR: Apoquinine, ethyl-, dihydrochloride (CAS 64046-95-3) is a chemical compound with molecular formula C21H28Cl2N2O2 and molecular weight 410.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-[(5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-1-hydroxypropyl]quinolin-6-ol;dihydrochloride
Also Known As: Ethylapoquinine dihydrochloride, Ethylapocupreine dihydrochloride, Apoquinine, ethyl-, dihydrochloride, 4-[1-[(5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-1-hydroxypropyl]quinolin-6-ol dihydrochloride, Cinchonan-9-ol, 3,10-didehydro-6'-ethoxy-10,11-dihydro-, dihydrochloride, (3Z,8.alpha.,9R)-
| Molecular Formula | C21H28Cl2N2O2 |
|---|---|
| Molecular Weight | 410.15 g/mol |
| LogP | 4.4221 |
| Topological Polar Surface Area | 56.59 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.15277 |
| Heavy Atoms | 27 |
| Complexity | 842.04144 |
Chemical Identifiers
| CAS Number | 64046-95-3 |
|---|---|
| SMILES | CCC(C1CC\2CCN1C/C2=C/C)(C3=C4C=C(C=CC4=NC=C3)O)O.Cl.Cl |
Product Overview
Apoquinine, ethyl-, dihydrochloride (CAS 64046-95-3), with molecular formula C21H28Cl2N2O2 and molecular weight 410.15 g/mol. IUPAC: 4-[1-[(5E)-5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl]-1-hydroxypropyl]quinolin-6-ol;dihydrochloride.
Chemical Property Profile of Apoquinine, ethyl-, dihydrochloride
Property Insights of Apoquinine, ethyl-, dihydrochloride
The XLogP value of 4.4221 indicates that Apoquinine, ethyl-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.59 Ų, Apoquinine, ethyl-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Apoquinine, ethyl-, dihydrochloride has 2 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 Apoquinine, ethyl-, dihydrochloride?
The CAS number of Apoquinine, ethyl-, dihydrochloride is 64046-95-3.
What is the molecular formula of Apoquinine, ethyl-, dihydrochloride?
The molecular formula of Apoquinine, ethyl-, dihydrochloride is C21H28Cl2N2O2.
What is the molecular weight of Apoquinine, ethyl-, dihydrochloride?
The molecular weight of Apoquinine, ethyl-, dihydrochloride is 410.15 g/mol.
Where can I buy Apoquinine, ethyl-, dihydrochloride?
You can request a quote for Apoquinine, ethyl-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apoquinine, ethyl-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Apoquinine, ethyl-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.