Etipirium
TL;DR: Etipirium (CAS 54505-25-8) is a chemical compound with molecular formula C21H26NO3+ and molecular weight 340.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate
Also Known As: Etipirium, Etipirium ion, Etipirium cation, Pyrrolidinium, 1-(2-hydroxyethyl)-1-methyl-,benzilate, 1-(2-Hydroxyethyl)-1-methylpyrrolidinium benzilate (ester)
| Molecular Formula | C21H26NO3+ |
|---|---|
| Molecular Weight | 340.19 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.19125 |
| Heavy Atoms | 25 |
| Complexity | 414.0 |
Chemical Identifiers
| CAS Number | 54505-25-8 |
|---|---|
| SMILES | C[N+]1(CCCC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O |
| InChIKey | VQBOTFUMIIUSAV-UHFFFAOYSA-N |
Product Overview
Etipirium (CAS 54505-25-8), with molecular formula C21H26NO3+ and molecular weight 340.19 g/mol. IUPAC: 2-(1-methylpyrrolidin-1-ium-1-yl)ethyl 2-hydroxy-2,2-diphenylacetate.
Chemical Property Profile of Etipirium
Property Insights of Etipirium
The XLogP value of 3.2 indicates that Etipirium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Etipirium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Etipirium has 1 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 Etipirium?
The CAS number of Etipirium is 54505-25-8.
What is the molecular formula of Etipirium?
The molecular formula of Etipirium is C21H26NO3+.
What is the molecular weight of Etipirium?
The molecular weight of Etipirium is 340.19 g/mol.
Where can I buy Etipirium?
You can request a quote for Etipirium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etipirium?
Yes, KEHONG BIO provides custom synthesis services for Etipirium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.