Quinine hydrochloride hydrate
TL;DR: Quinine hydrochloride hydrate (CAS 6119-47-7) is a chemical compound with molecular formula C20H29ClN2O4 and molecular weight 396.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride
Also Known As: Quinine HCl, Quinine hydrochloride, Quinine hydrochloride dihydrate, Quinine hydrochloride hydrate, Quinine hydrochloride [NF XI:JAN]
| Molecular Formula | C20H29ClN2O4 |
|---|---|
| Molecular Weight | 396.18 g/mol |
| LogP | 1.9456 |
| Topological Polar Surface Area | 108.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.18158 |
| Heavy Atoms | 27 |
| Complexity | 772.73016 |
Chemical Identifiers
| CAS Number | 6119-47-7 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.O.O.Cl |
Product Overview
Quinine hydrochloride hydrate (CAS 6119-47-7), with molecular formula C20H29ClN2O4 and molecular weight 396.18 g/mol. IUPAC: (R)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrate;hydrochloride.
Chemical Property Profile of Quinine hydrochloride hydrate
Property Insights of Quinine hydrochloride hydrate
The XLogP value of 1.9456 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinine hydrochloride hydrate. The TPSA of 108.59 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinine hydrochloride hydrate. Following Lipinski's Rule of Five, Quinine hydrochloride hydrate has 1 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 Quinine hydrochloride hydrate?
The CAS number of Quinine hydrochloride hydrate is 6119-47-7.
What is the molecular formula of Quinine hydrochloride hydrate?
The molecular formula of Quinine hydrochloride hydrate is C20H29ClN2O4.
What is the molecular weight of Quinine hydrochloride hydrate?
The molecular weight of Quinine hydrochloride hydrate is 396.18 g/mol.
Where can I buy Quinine hydrochloride hydrate?
You can request a quote for Quinine hydrochloride hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinine hydrochloride hydrate?
Yes, KEHONG BIO provides custom synthesis services for Quinine hydrochloride hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.