Dequalinium Chloride
TL;DR: Dequalinium Chloride (CAS 522-51-0) is a chemical compound with molecular formula C30H40Cl2N4 and molecular weight 526.263 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 dichloride
Also Known As: dequalinium chloride, Decamine, Dekamin, Dequalinium Dichloride, Dequafungan
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C30H40Cl2N4 |
| Molecular Weight | 526.263 g/mol |
| XLogP | 0.18 |
| Topological Polar Surface Area (TPSA) | 59.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 526.263 Da |
| Heavy Atoms | 36 |
| Complexity | 532.0 |
| SMILES | CC1=[N+](C2=CC=CC=C2C(=C1)N)CCCCCCCCCC[N+]3=C(C=C(C4=CC=CC=C43)N)C.[Cl-].[Cl-] |
| InChIKey | LTNZEXKYNRNOGT-UHFFFAOYSA-N |
Product Description
Applications: Dequalinium Chloride 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Dequalinium Chloride (CAS 522-51-0) has the molecular formula C30H40Cl2N4 and a molecular weight of 526.26 g/mol. Synonyms include dequalinium chloride and Decamine.
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 Chloride
Property Insights of Dequalinium Chloride
The XLogP value of 0.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dequalinium Chloride. With a topological polar surface area (TPSA) of 59.8 Ų, Dequalinium Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dequalinium Chloride has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Dequalinium Chloride?
The CAS number of Dequalinium Chloride is 522-51-0.
What is the molecular formula of Dequalinium Chloride?
The molecular formula of Dequalinium Chloride is C30H40Cl2N4.
What is the molecular weight of Dequalinium Chloride?
The molecular weight of Dequalinium Chloride is 526.263 g/mol.
What are the applications of Dequalinium Chloride?
Dequalinium Chloride 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. Available from CoreyChem as both catalog item and custom-synthesis project (mg...
Where can I buy Dequalinium Chloride?
You can request a quote for Dequalinium Chloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dequalinium Chloride?
Yes, CoreyChem provides custom synthesis services for Dequalinium Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.