Deditonium Bromide
TL;DR: Deditonium Bromide (CAS 2401-56-1) is a chemical compound with molecular formula C38H66Br2N2O2 and molecular weight 740.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Deditonium Bromide
10-[dimethyl-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azaniumyl]decyl-dimethyl-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium dibromide
Also Known As: Deditonium bromide, Deditoniumbromide, deditonii bromidum, bromuro de deditonio, bromure de deditonium
| Molecular Formula | C38H66Br2N2O2 |
|---|---|
| Molecular Weight | 740.35 g/mol |
| LogP | 3.28964 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 21 |
| Exact Mass | 740.3491 |
| Heavy Atoms | 44 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 2401-56-1 |
|---|---|
| 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.[Br-].[Br-] |
| InChIKey | KRJLZXUYKFHTSN-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Deditonium Bromide (CAS 2401-56-1), with molecular formula C38H66Br2N2O2 and molecular weight 740.35 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 dibromide.
Chemical Property Profile of Deditonium Bromide
Property Insights of Deditonium Bromide
The XLogP value of 3.28964 indicates that Deditonium Bromide 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 Bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Deditonium Bromide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Deditonium Bromide?
The CAS number of Deditonium Bromide is 2401-56-1.
What is the molecular formula of Deditonium Bromide?
The molecular formula of Deditonium Bromide is C38H66Br2N2O2.
What is the molecular weight of Deditonium Bromide?
The molecular weight of Deditonium Bromide is 740.35 g/mol.
Where can I buy Deditonium Bromide?
You can request a quote for Deditonium Bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deditonium Bromide?
Yes, KEHONG BIO provides custom synthesis services for Deditonium Bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.