Dequalinium
TL;DR: Dequalinium (CAS 6707-58-0) is a chemical compound with molecular formula C30H40N4+2 and molecular weight 456.3253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine
Also Known As: dequalinium, dequalinium chloride, Dequadin, Dequavagyn, Dequalinium cation
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C30H40N4+2 |
| Molecular Weight | 456.3253 g/mol |
| XLogP | 7.3 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 456.3253 Da |
| Heavy Atoms | 34 |
| Complexity | 532.0 |
| Boiling Point | 300 |
| SMILES | CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C |
| InChIKey | PCSWXVJAIHCTMO-UHFFFAOYSA-P |
Product Description
Applications: Dequalinium is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Dequalinium (CAS 6707-58-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Dequalinium (CAS 6707-58-0) has the molecular formula C30H40N4+2 and a molecular weight of 456.33 g/mol. It is also known as dequalinium and dequalinium chloride.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Dequalinium
Property Insights of Dequalinium
The XLogP value of 7.3 indicates that Dequalinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.8 Ų, Dequalinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dequalinium has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dequalinium?
The CAS number of Dequalinium is 6707-58-0.
What is the molecular formula of Dequalinium?
The molecular formula of Dequalinium is C30H40N4+2.
What is the molecular weight of Dequalinium?
The molecular weight of Dequalinium is 456.3253 g/mol.
What are the applications of Dequalinium?
Dequalinium is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Dequalinium (CAS 6707-58-0) with custom synthesis available from...
Where can I buy Dequalinium?
You can request a quote for Dequalinium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dequalinium?
Yes, CoreyChem provides custom synthesis services for Dequalinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.