Laudexium metilsulfate
TL;DR: Laudexium metilsulfate (CAS 3253-60-9) is a chemical compound with molecular formula C54H80N2O16S2 and molecular weight 1076.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dimethoxyphenyl)methyl]-2-[10-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]decyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium;methyl sulfate
Also Known As: Laudexium methylsulfate, Laudolissin, Laudexium, Laudexium metilsulfate, Laudexium methyl sulfate
| Molecular Formula | C54H80N2O16S2 |
|---|---|
| Molecular Weight | 1076.49 g/mol |
| LogP | 8.34 |
| Topological Polar Surface Area | 223.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 23 |
| Exact Mass | 1076.4949 |
| Heavy Atoms | 74 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 3253-60-9 |
|---|---|
| SMILES | C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCCCCCCCCC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-] |
| InChIKey | LADQAYSLFLCKOD-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Laudexium metilsulfate (CAS 3253-60-9), with molecular formula C54H80N2O16S2 and molecular weight 1076.49 g/mol. IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-2-[10-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]decyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium;methyl sulfate.
Chemical Property Profile of Laudexium metilsulfate
Property Insights of Laudexium metilsulfate
The XLogP value of 8.34 indicates that Laudexium metilsulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 223.0 Ų indicates high polarity, suggesting Laudexium metilsulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Laudexium metilsulfate has 0 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Laudexium metilsulfate?
The CAS number of Laudexium metilsulfate is 3253-60-9.
What is the molecular formula of Laudexium metilsulfate?
The molecular formula of Laudexium metilsulfate is C54H80N2O16S2.
What is the molecular weight of Laudexium metilsulfate?
The molecular weight of Laudexium metilsulfate is 1076.49 g/mol.
Where can I buy Laudexium metilsulfate?
You can request a quote for Laudexium metilsulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Laudexium metilsulfate?
Yes, KEHONG BIO provides custom synthesis services for Laudexium metilsulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.