Apoquinine, dihydrochloride
TL;DR: Apoquinine, dihydrochloride (CAS 64046-94-2) is a chemical compound with molecular formula C19H24Cl2N2O2 and molecular weight 382.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(5E)-5-ethylidene-1-azoniabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-1-ium-6-ol dichloride
Also Known As: Apocupreine, dihydrochloride, APOQUININE, DIHYDROCHLORIDE, Cinchonan-6',9-diol, 3,10-didehydro-10,11-dihydro-, dihydrochloride, (3Z,8-alpha,9R)-, Cinchonan-6',9-diol, 3,10-didehydro-10,11-dihydro-, dihydrochloride, (3Z,8.alpha.,9R)-, 4-[[(5E)-5-ethylidene-1-azoniabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-1-ium-6-ol dichloride
| Molecular Formula | C19H24Cl2N2O2 |
|---|---|
| Molecular Weight | 382.12 g/mol |
| LogP | -4.9757 |
| Topological Polar Surface Area | 59.04 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.1215 |
| Heavy Atoms | 25 |
| Complexity | 781.1082 |
Chemical Identifiers
| CAS Number | 64046-94-2 |
|---|---|
| SMILES | C/C=C\1/C[NH+]2CCC1CC2C(C3=C4C=C(C=CC4=[NH+]C=C3)O)O.[Cl-].[Cl-] |
Product Overview
Apoquinine, dihydrochloride (CAS 64046-94-2), with molecular formula C19H24Cl2N2O2 and molecular weight 382.12 g/mol. IUPAC: 4-[[(5E)-5-ethylidene-1-azoniabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-1-ium-6-ol dichloride.
Chemical Property Profile of Apoquinine, dihydrochloride
Property Insights of Apoquinine, dihydrochloride
The XLogP value of -4.9757 indicates that Apoquinine, dihydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.04 Ų, Apoquinine, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Apoquinine, dihydrochloride has 3 hydrogen bond donor(s) and 2 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, dihydrochloride?
The CAS number of Apoquinine, dihydrochloride is 64046-94-2.
What is the molecular formula of Apoquinine, dihydrochloride?
The molecular formula of Apoquinine, dihydrochloride is C19H24Cl2N2O2.
What is the molecular weight of Apoquinine, dihydrochloride?
The molecular weight of Apoquinine, dihydrochloride is 382.12 g/mol.
Where can I buy Apoquinine, dihydrochloride?
You can request a quote for Apoquinine, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apoquinine, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Apoquinine, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.