6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2)
TL;DR: 6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2) (CAS 18984-77-5) is a chemical compound with molecular formula C21H30Cl2N2O2 and molecular weight 412.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(R)-(6-ethoxyquinolin-4-yl)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;dihydrochloride
Also Known As: Optochin dihydrochloride, Optochin HCl, Numoquin dihydrochloride, Ethylhydrocupreine dihydrochloride, KST-1A2417
| Molecular Formula | C21H30Cl2N2O2 |
|---|---|
| Molecular Weight | 412.17 g/mol |
| LogP | 4.63 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 412.16843 |
| Heavy Atoms | 27 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 18984-77-5 |
|---|---|
| SMILES | CC[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](C3=C4C=C(C=CC4=NC=C3)OCC)O.Cl.Cl |
| InChIKey | BHCOGFGUMGMUPP-XVQDCFBBSA-N |
Product Overview
6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2) (CAS 18984-77-5), with molecular formula C21H30Cl2N2O2 and molecular weight 412.17 g/mol. IUPAC: (R)-(6-ethoxyquinolin-4-yl)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;dihydrochloride.
Chemical Property Profile of 6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2)
Property Insights of 6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2)
The XLogP value of 4.63 indicates that 6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2) has 3 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 6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2)?
The CAS number of 6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2) is 18984-77-5.
What is the molecular formula of 6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2)?
The molecular formula of 6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2) is C21H30Cl2N2O2.
What is the molecular weight of 6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2)?
The molecular weight of 6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2) is 412.17 g/mol.
Where can I buy 6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2)?
You can request a quote for 6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2)?
Yes, KEHONG BIO provides custom synthesis services for 6'-Ethoxy-10,11-dihydrocinchonan-9-ol--hydrogen chloride (1/2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.