Plegarol
TL;DR: Plegarol (CAS 126-79-4) is a chemical compound with molecular formula C14H32I2N2O and molecular weight 498.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethyl]azanium diiodide
Also Known As: Plegarol, AS-12,305, Pyrrolidinium, 1-(2-(2-(diethylmethylammonio)ethoxy)ethyl)-1-methyl-, diiodide, Ammonium, (2-(2-(1-methylpyrrolidinio)ethoxy)ethyl)diethylmethyl-, diiodide, diethyl-methyl-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethyl]azanium diiodide
| Molecular Formula | C14H32I2N2O |
|---|---|
| Molecular Weight | 498.06 g/mol |
| LogP | -4.26 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.06042 |
| Heavy Atoms | 19 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 126-79-4 |
|---|---|
| SMILES | CC[N+](C)(CC)CCOCC[N+]1(CCCC1)C.[I-].[I-] |
| InChIKey | VACPTJTYMJLQSW-UHFFFAOYSA-L |
Product Overview
Plegarol (CAS 126-79-4), with molecular formula C14H32I2N2O and molecular weight 498.06 g/mol. IUPAC: diethyl-methyl-[2-[2-(1-methylpyrrolidin-1-ium-1-yl)ethoxy]ethyl]azanium diiodide.
Chemical Property Profile of Plegarol
Property Insights of Plegarol
The XLogP value of -4.26 indicates that Plegarol 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, Plegarol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Plegarol 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 Plegarol?
The CAS number of Plegarol is 126-79-4.
What is the molecular formula of Plegarol?
The molecular formula of Plegarol is C14H32I2N2O.
What is the molecular weight of Plegarol?
The molecular weight of Plegarol is 498.06 g/mol.
Where can I buy Plegarol?
You can request a quote for Plegarol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Plegarol?
Yes, KEHONG BIO provides custom synthesis services for Plegarol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.