3-Hydroxyhydroquinidine
TL;DR: 3-Hydroxyhydroquinidine (CAS 85405-59-0) is a chemical compound with molecular formula C20H26N2O3 and molecular weight 342.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4S,6R)-3-ethyl-6-[(S)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
Also Known As: 3-Hydroxyhydroquinidine, hydroxy-3-dihydroquinidine, OH-HQ, 3-OHHQ, LNC 834 base
| Molecular Formula | C20H26N2O3 |
|---|---|
| Molecular Weight | 342.19 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 65.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.19434 |
| Heavy Atoms | 25 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 85405-59-0 |
|---|---|
| SMILES | CC[C@]1(CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O)O |
| InChIKey | QJYVSAYVZYKUJL-LGWHJFRWSA-N |
Product Overview
3-Hydroxyhydroquinidine (CAS 85405-59-0), with molecular formula C20H26N2O3 and molecular weight 342.19 g/mol. IUPAC: (3S,4S,6R)-3-ethyl-6-[(S)-hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-3-ol.
Chemical Property Profile of 3-Hydroxyhydroquinidine
Property Insights of 3-Hydroxyhydroquinidine
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxyhydroquinidine. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxyhydroquinidine. Following Lipinski's Rule of Five, 3-Hydroxyhydroquinidine has 2 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 3-Hydroxyhydroquinidine?
The CAS number of 3-Hydroxyhydroquinidine is 85405-59-0.
What is the molecular formula of 3-Hydroxyhydroquinidine?
The molecular formula of 3-Hydroxyhydroquinidine is C20H26N2O3.
What is the molecular weight of 3-Hydroxyhydroquinidine?
The molecular weight of 3-Hydroxyhydroquinidine is 342.19 g/mol.
Where can I buy 3-Hydroxyhydroquinidine?
You can request a quote for 3-Hydroxyhydroquinidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxyhydroquinidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxyhydroquinidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.