Quinine formate
TL;DR: Quinine formate (CAS 130-90-5) is a chemical compound with molecular formula C21H27N3O4 and molecular weight 385.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(R)-[(2S,5R)-2-amino-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;formic acid
Also Known As: Quinine formate, Quinoform, Quinine, formate (salt), Formic acid, compd. with quinine (1:1), (R)-[(2S,5R)-2-amino-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol; formic acid
| Molecular Formula | C21H27N3O4 |
|---|---|
| Molecular Weight | 385.20 g/mol |
| LogP | 2.16 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 385.20016 |
| Heavy Atoms | 28 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 130-90-5 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@]3(CC4CCN3C[C@@H]4C=C)N)O.C(=O)O |
| InChIKey | WVJZGHKQJTYJBN-KYNMMFKBSA-N |
Product Overview
Quinine formate (CAS 130-90-5), with molecular formula C21H27N3O4 and molecular weight 385.20 g/mol. IUPAC: (R)-[(2S,5R)-2-amino-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;formic acid.
Chemical Property Profile of Quinine formate
Property Insights of Quinine formate
The XLogP value of 2.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinine formate. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinine formate. Following Lipinski's Rule of Five, Quinine formate has 3 hydrogen bond donor(s) and 7 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 formate?
The CAS number of Quinine formate is 130-90-5.
What is the molecular formula of Quinine formate?
The molecular formula of Quinine formate is C21H27N3O4.
What is the molecular weight of Quinine formate?
The molecular weight of Quinine formate is 385.20 g/mol.
Where can I buy Quinine formate?
You can request a quote for Quinine formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinine formate?
Yes, KEHONG BIO provides custom synthesis services for Quinine formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.