Paraquat dimetilsulfate
TL;DR: Paraquat dimetilsulfate (CAS 2074-50-2) is a chemical compound with molecular formula C14H20N2O8S2 and molecular weight 408.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;methyl sulfate
Also Known As: Paraquat methosulfate, Paraquat I, Paraquat dimetilsulfate, Paraquat methylsulfate, Paraquat dimesylate
| Molecular Formula | C14H20N2O8S2 |
|---|---|
| Molecular Weight | 408.07 g/mol |
| LogP | -0.81 |
| Topological Polar Surface Area | 157.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 408.0661 |
| Heavy Atoms | 26 |
| Complexity | 236.0 |
| Melting Point | 300 °C |
| Boiling Point | Decomposes at 347-215.6 °C |
| Vapor Pressure | Approximately 0 |
Chemical Identifiers
| CAS Number | 2074-50-2 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.COS(=O)(=O)[O-].COS(=O)(=O)[O-] |
| InChIKey | WXJYKXOIFICRPR-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Paraquat dimetilsulfate (CAS 2074-50-2), with molecular formula C14H20N2O8S2 and molecular weight 408.07 g/mol. IUPAC: 1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium;methyl sulfate.
Chemical Property Profile of Paraquat dimetilsulfate
Property Insights of Paraquat dimetilsulfate
The XLogP value of -0.81 indicates that Paraquat dimetilsulfate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting Paraquat dimetilsulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Paraquat dimetilsulfate has 0 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 Paraquat dimetilsulfate?
The CAS number of Paraquat dimetilsulfate is 2074-50-2.
What is the molecular formula of Paraquat dimetilsulfate?
The molecular formula of Paraquat dimetilsulfate is C14H20N2O8S2.
What is the molecular weight of Paraquat dimetilsulfate?
The molecular weight of Paraquat dimetilsulfate is 408.07 g/mol.
Where can I buy Paraquat dimetilsulfate?
You can request a quote for Paraquat dimetilsulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Paraquat dimetilsulfate?
Yes, KEHONG BIO provides custom synthesis services for Paraquat dimetilsulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.