Dodeconium
TL;DR: Dodeconium (CAS 3818-69-7) is a chemical compound with molecular formula C38H78Cl2N2O4 and molecular weight 696.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-dodecoxy-2-oxoethyl)-[6-[(2-dodecoxy-2-oxoethyl)-dimethylazaniumyl]hexyl]-dimethylazanium dichloride
Also Known As: Dodeconium, Preparation C, Preparation S, dodonium, Preparation C (the Russian Drug)
| Molecular Formula | C38H78Cl2N2O4 |
|---|---|
| Molecular Weight | 696.53 g/mol |
| LogP | 3.64 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 35 |
| Exact Mass | 696.5339 |
| Heavy Atoms | 46 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 3818-69-7 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)C[N+](C)(C)CCCCCC[N+](C)(C)CC(=O)OCCCCCCCCCCCC.[Cl-].[Cl-] |
| InChIKey | XINQFOMFQFGGCQ-UHFFFAOYSA-L |
Product Overview
Dodeconium (CAS 3818-69-7), with molecular formula C38H78Cl2N2O4 and molecular weight 696.53 g/mol. IUPAC: (2-dodecoxy-2-oxoethyl)-[6-[(2-dodecoxy-2-oxoethyl)-dimethylazaniumyl]hexyl]-dimethylazanium dichloride.
Chemical Property Profile of Dodeconium
Property Insights of Dodeconium
The XLogP value of 3.64 indicates that Dodeconium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dodeconium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodeconium has 0 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 Dodeconium?
The CAS number of Dodeconium is 3818-69-7.
What is the molecular formula of Dodeconium?
The molecular formula of Dodeconium is C38H78Cl2N2O4.
What is the molecular weight of Dodeconium?
The molecular weight of Dodeconium is 696.53 g/mol.
Where can I buy Dodeconium?
You can request a quote for Dodeconium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodeconium?
Yes, KEHONG BIO provides custom synthesis services for Dodeconium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.