Plegatil
TL;DR: Plegatil (CAS 53597-29-8) is a chemical compound with molecular formula C13H32I2N2O and molecular weight 486.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[2-[2-(trimethylazaniumyl)ethoxy]propyl]azanium diiodide
Also Known As: Plegatil, PLEGATIL [MI], METHYLOXAMETHONIUM IODIDE, 2-(2-Dimethylaminoethoxy)-N,N-diethylpropylamine dimethiodide, 2-Dimethylaminoethyl 2'-diethylaminoisopropyl ether bismethiodide
| Molecular Formula | C13H32I2N2O |
|---|---|
| Molecular Weight | 486.06 g/mol |
| LogP | -4.41 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 486.06042 |
| Heavy Atoms | 18 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 53597-29-8 |
|---|---|
| SMILES | CC[N+](C)(CC)CC(C)OCC[N+](C)(C)C.[I-].[I-] |
| InChIKey | RUBDHVDUWRMJGL-UHFFFAOYSA-L |
Product Overview
Plegatil (CAS 53597-29-8), with molecular formula C13H32I2N2O and molecular weight 486.06 g/mol. IUPAC: diethyl-methyl-[2-[2-(trimethylazaniumyl)ethoxy]propyl]azanium diiodide.
Chemical Property Profile of Plegatil
Property Insights of Plegatil
The XLogP value of -4.41 indicates that Plegatil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 9.2 Ų, Plegatil exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Plegatil has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Plegatil?
The CAS number of Plegatil is 53597-29-8.
What is the molecular formula of Plegatil?
The molecular formula of Plegatil is C13H32I2N2O.
What is the molecular weight of Plegatil?
The molecular weight of Plegatil is 486.06 g/mol.
Where can I buy Plegatil?
You can request a quote for Plegatil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Plegatil?
Yes, KEHONG BIO provides custom synthesis services for Plegatil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.