Quinine benzoate
TL;DR: Quinine benzoate (CAS 750-88-9) is a chemical compound with molecular formula C27H30N2O4 and molecular weight 446.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzoic acid;(S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
Also Known As: Quinine benzoate, Benzoic acid--6'-methoxycinchonan-9-ol (1/1), Benzoic acid--(1xi,9S)-6'-methoxy-8alpha-cinchonan-9-ol (1/1), Benzoic acid;(S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol, benzoic acid; (S)-(6-methoxy-4-quinolyl)-[(2S,5R)-5-vinylquinuclidin-2-yl]methanol
| Molecular Formula | C27H30N2O4 |
|---|---|
| Molecular Weight | 446.22 g/mol |
| LogP | 4.56 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.22055 |
| Heavy Atoms | 33 |
| Complexity | 560.0 |
Chemical Identifiers
| CAS Number | 750-88-9 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@@H]3CC4CCN3C[C@@H]4C=C)O.C1=CC=C(C=C1)C(=O)O |
| InChIKey | AQHKBFWCAHXPDT-OMBBNSMKSA-N |
Product Overview
Quinine benzoate (CAS 750-88-9), with molecular formula C27H30N2O4 and molecular weight 446.22 g/mol. IUPAC: benzoic acid;(S)-[(2S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol.
Chemical Property Profile of Quinine benzoate
Property Insights of Quinine benzoate
The XLogP value of 4.56 indicates that Quinine benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinine benzoate. Following Lipinski's Rule of Five, Quinine benzoate has 2 hydrogen bond donor(s) and 6 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 benzoate?
The CAS number of Quinine benzoate is 750-88-9.
What is the molecular formula of Quinine benzoate?
The molecular formula of Quinine benzoate is C27H30N2O4.
What is the molecular weight of Quinine benzoate?
The molecular weight of Quinine benzoate is 446.22 g/mol.
Where can I buy Quinine benzoate?
You can request a quote for Quinine benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinine benzoate?
Yes, KEHONG BIO provides custom synthesis services for Quinine benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.