Dequalinium Acetate
TL;DR: Dequalinium Acetate (CAS 4028-98-2) is a chemical compound with molecular formula C34H46N4O4 and molecular weight 574.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine diacetate
Also Known As: DEQUALINIUM ACETATE, Dequadin acetate, Decalinium acetate, Acetate, Dequalinium, Dequalinium Diacetate
| Molecular Formula | C34H46N4O4 |
|---|---|
| Molecular Weight | 574.35 g/mol |
| LogP | 3.68 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 574.3519 |
| Heavy Atoms | 42 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 4028-98-2 |
|---|---|
| SMILES | CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.CC(=O)[O-].CC(=O)[O-] |
| InChIKey | IWYNVAJACBPVLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dequalinium Acetate (CAS 4028-98-2), with molecular formula C34H46N4O4 and molecular weight 574.35 g/mol. IUPAC: 1-[10-(4-amino-2-methylquinolin-1-ium-1-yl)decyl]-2-methylquinolin-1-ium-4-amine diacetate.
Chemical Property Profile of Dequalinium Acetate
Property Insights of Dequalinium Acetate
The XLogP value of 3.68 indicates that Dequalinium Acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.0 Ų indicates high polarity, suggesting Dequalinium Acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dequalinium Acetate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dequalinium Acetate?
The CAS number of Dequalinium Acetate is 4028-98-2.
What is the molecular formula of Dequalinium Acetate?
The molecular formula of Dequalinium Acetate is C34H46N4O4.
What is the molecular weight of Dequalinium Acetate?
The molecular weight of Dequalinium Acetate is 574.35 g/mol.
Where can I buy Dequalinium Acetate?
You can request a quote for Dequalinium Acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dequalinium Acetate?
Yes, KEHONG BIO provides custom synthesis services for Dequalinium Acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.