Dodeclonium Bromide
TL;DR: Dodeclonium Bromide (CAS 15687-13-5) is a chemical compound with molecular formula C22H39BrClNO and molecular weight 447.19037 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-chlorophenoxy)ethyl-dodecyl-dimethylazanium bromide
Also Known As: Dodeclonium Bromide, Dodeclonii bromidum, Bromuro de dodeclonio, Bromure de dodeclonium, Dodecloniumbromid
Technical Specifications
| Molecular Formula | C22H39BrClNO |
| Molecular Weight | 447.19037 g/mol |
| XLogP | 3.72 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 447.19037 Da |
| Heavy Atoms | 26 |
| Complexity | 300.0 |
| SMILES | CCCCCCCCCCCC[N+](C)(C)CCOC1=CC=C(C=C1)Cl.[Br-] |
| InChIKey | CKGHXNXUAQJNMJ-UHFFFAOYSA-M |
Chemical Property Profile of Dodeclonium Bromide
Property Insights of Dodeclonium Bromide
The XLogP value of 3.72 indicates that Dodeclonium Bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, Dodeclonium Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodeclonium Bromide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dodeclonium Bromide?
The CAS number of Dodeclonium Bromide is 15687-13-5.
What is the molecular formula of Dodeclonium Bromide?
The molecular formula of Dodeclonium Bromide is C22H39BrClNO.
What is the molecular weight of Dodeclonium Bromide?
The molecular weight of Dodeclonium Bromide is 447.19037 g/mol.
Where can I buy Dodeclonium Bromide?
You can request a quote for Dodeclonium Bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dodeclonium Bromide?
Yes, CoreyChem provides custom synthesis services for Dodeclonium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.