Deditonium
TL;DR: Deditonium (CAS 20462-53-7) is a chemical compound with molecular formula C38H66N2O2+2 and molecular weight 582.51 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[dimethyl-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azaniumyl]decyl-dimethyl-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium
Also Known As: Deditonium, Deditonium ion, Deditonium cation, Decamethylenebis[dimethyl[2- ethyl]aminium], Decamethylenebis[dimethyl[2-(thymyloxy)ethyl]aminium]
| Molecular Formula | C38H66N2O2+2 |
|---|---|
| Molecular Weight | 582.51 g/mol |
| LogP | 10.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 21 |
| Exact Mass | 582.51245 |
| Heavy Atoms | 42 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 20462-53-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OCC[N+](C)(C)CCCCCCCCCC[N+](C)(C)CCOC2=C(C=CC(=C2)C)C(C)C |
| InChIKey | HDFVMCZXNURVCU-UHFFFAOYSA-N |
Product Overview
Deditonium (CAS 20462-53-7), with molecular formula C38H66N2O2+2 and molecular weight 582.51 g/mol. IUPAC: 10-[dimethyl-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azaniumyl]decyl-dimethyl-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium.
Chemical Property Profile of Deditonium
Property Insights of Deditonium
The XLogP value of 10.2 indicates that Deditonium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Deditonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Deditonium has 0 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 Deditonium?
The CAS number of Deditonium is 20462-53-7.
What is the molecular formula of Deditonium?
The molecular formula of Deditonium is C38H66N2O2+2.
What is the molecular weight of Deditonium?
The molecular weight of Deditonium is 582.51 g/mol.
Where can I buy Deditonium?
You can request a quote for Deditonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deditonium?
Yes, KEHONG BIO provides custom synthesis services for Deditonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.