地喹氯铵
TL;DR: 地喹氯铵 (CAS 6707-58-0) is a chemical compound with molecular formula C30H40N4+2 and molecular weight 456.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
地喹氯铵
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
| Molecular Formula | C30H40N4+2 |
|---|---|
| Molecular Weight | 456.33 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 456.3253 |
| Heavy Atoms | 34 |
| Complexity | 532.0 |
| Boiling Point | 300 |
Chemical Identifiers
| CAS Number | 6707-58-0 |
|---|---|
| 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 |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
地喹氯铵 (CAS 6707-58-0), with molecular formula C30H40N4+2 and molecular weight 456.33 g/mol. IUPAC: 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine.
Chemical Property Profile of 地喹氯铵
Property Insights of 地喹氯铵
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, 地喹氯铵 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
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 456.33 g/mol.
Where can I buy Dequalinium?
You can request a quote for Dequalinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dequalinium?
Yes, KEHONG BIO provides custom synthesis services for Dequalinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.