Optochinidin
TL;DR: Optochinidin (CAS 747-45-5) is a chemical compound with molecular formula C20H26N2O6S and molecular weight 422.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid
Also Known As: Optochinidin, Kinilentin, Quinidine bisulfate, Kinidin durules, Biquin durules
| Molecular Formula | C20H26N2O6S |
|---|---|
| Molecular Weight | 422.15 g/mol |
| LogP | 2.52 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.15115 |
| Heavy Atoms | 29 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 747-45-5 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3CC4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O |
| InChIKey | AKYHKWQPZHDOBW-KYNMMFKBSA-N |
Product Overview
Optochinidin (CAS 747-45-5), with molecular formula C20H26N2O6S and molecular weight 422.15 g/mol. IUPAC: (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;sulfuric acid.
Chemical Property Profile of Optochinidin
Property Insights of Optochinidin
The XLogP value of 2.52 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Optochinidin. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Optochinidin. Following Lipinski's Rule of Five, Optochinidin has 3 hydrogen bond donor(s) and 8 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 Optochinidin?
The CAS number of Optochinidin is 747-45-5.
What is the molecular formula of Optochinidin?
The molecular formula of Optochinidin is C20H26N2O6S.
What is the molecular weight of Optochinidin?
The molecular weight of Optochinidin is 422.15 g/mol.
Where can I buy Optochinidin?
You can request a quote for Optochinidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Optochinidin?
Yes, KEHONG BIO provides custom synthesis services for Optochinidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.