硫酸-6'-甲氧基金鸡纳-9-醇(1:2)
TL;DR: 硫酸-6'-甲氧基金鸡纳-9-醇(1:2) (CAS 50-54-4) is a chemical compound with molecular formula C40H50N4O8S and molecular weight 746.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸-6'-甲氧基金鸡纳-9-醇(1:2)
bis((S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid
Also Known As: Quinidine sulfate, Quinicardine, Auriquin, Kinichron, Quinidate
| Molecular Formula | C40H50N4O8S |
|---|---|
| Molecular Weight | 746.33 g/mol |
| LogP | 5.69 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 746.33496 |
| Heavy Atoms | 53 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 50-54-4 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3CC4CCN3C[C@@H]4C=C)O.COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3CC4CCN3C[C@@H]4C=C)O.OS(=O)(=O)O |
| InChIKey | RONWGALEIBILOG-QJEGDNEGSA-N |
Product Overview
硫酸-6'-甲氧基金鸡纳-9-醇(1:2) (CAS 50-54-4), with molecular formula C40H50N4O8S and molecular weight 746.33 g/mol. IUPAC: bis((S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol);sulfuric acid.
Chemical Property Profile of 硫酸-6'-甲氧基金鸡纳-9-醇(1:2)
Property Insights of 硫酸-6'-甲氧基金鸡纳-9-醇(1:2)
The XLogP value of 5.69 indicates that 硫酸-6'-甲氧基金鸡纳-9-醇(1:2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 174.0 Ų indicates high polarity, suggesting 硫酸-6'-甲氧基金鸡纳-9-醇(1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 硫酸-6'-甲氧基金鸡纳-9-醇(1:2) has 4 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫酸-6'-甲氧基金鸡纳-9-醇(1:2)?
The CAS number of 硫酸-6'-甲氧基金鸡纳-9-醇(1:2) is 50-54-4.
What is the molecular formula of 硫酸-6'-甲氧基金鸡纳-9-醇(1:2)?
The molecular formula of 硫酸-6'-甲氧基金鸡纳-9-醇(1:2) is C40H50N4O8S.
What is the molecular weight of 硫酸-6'-甲氧基金鸡纳-9-醇(1:2)?
The molecular weight of 硫酸-6'-甲氧基金鸡纳-9-醇(1:2) is 746.33 g/mol.
Where can I buy 硫酸-6'-甲氧基金鸡纳-9-醇(1:2)?
You can request a quote for 硫酸-6'-甲氧基金鸡纳-9-醇(1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸-6'-甲氧基金鸡纳-9-醇(1:2)?
Yes, KEHONG BIO provides custom synthesis services for 硫酸-6'-甲氧基金鸡纳-9-醇(1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.