Hydroxyethylapoquinine dihydrochloride
TL;DR: Hydroxyethylapoquinine dihydrochloride (CAS 5414-52-8) is a chemical compound with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl)-1-(6-hydroxyquinolin-4-yl)propane-1,3-diol
Also Known As: Hydroxyethylapoquinine dihydrochloride, Hydroxyethylapocupreine dihydrochloride, Apoquinine, hydroxyethyl-, dihydrochloride, Apoquinine, 6'-(2-hydroxyethoxy)-, dihydrochloride, Cinchonan-9-ol, 3,10-didehydro-10,11-dihydro-6'-(2-hydroxyethoxy)-, dihydrochloride, (3Z,8.alpha.,9R)-
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 5414-52-8 |
|---|---|
| SMILES | CC=C1CN2CCC1CC2C(CCO)(C3=C4C=C(C=CC4=NC=C3)O)O |
| InChIKey | MEYBSMUMDMRJRV-UHFFFAOYSA-N |
Product Overview
Hydroxyethylapoquinine dihydrochloride (CAS 5414-52-8), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: 1-(5-ethylidene-1-azabicyclo[2.2.2]octan-2-yl)-1-(6-hydroxyquinolin-4-yl)propane-1,3-diol.
Chemical Property Profile of Hydroxyethylapoquinine dihydrochloride
Property Insights of Hydroxyethylapoquinine dihydrochloride
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydroxyethylapoquinine dihydrochloride. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydroxyethylapoquinine dihydrochloride. Following Lipinski's Rule of Five, Hydroxyethylapoquinine dihydrochloride has 3 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 Hydroxyethylapoquinine dihydrochloride?
The CAS number of Hydroxyethylapoquinine dihydrochloride is 5414-52-8.
What is the molecular formula of Hydroxyethylapoquinine dihydrochloride?
The molecular formula of Hydroxyethylapoquinine dihydrochloride is C21H26N2O3.
What is the molecular weight of Hydroxyethylapoquinine dihydrochloride?
The molecular weight of Hydroxyethylapoquinine dihydrochloride is 354.19 g/mol.
Where can I buy Hydroxyethylapoquinine dihydrochloride?
You can request a quote for Hydroxyethylapoquinine dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxyethylapoquinine dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Hydroxyethylapoquinine dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.