Estocin
TL;DR: Estocin (CAS 2424-75-1) is a chemical compound with molecular formula C20H26ClNO3 and molecular weight 363.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-dimethylazanium chloride
Also Known As: Estocin, Aestocin, Propalgyl, Estocine, Estotsin
| Molecular Formula | C20H26ClNO3 |
|---|---|
| Molecular Weight | 363.16 g/mol |
| LogP | -1.34 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 363.16013 |
| Heavy Atoms | 25 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 2424-75-1 |
|---|---|
| SMILES | CCOC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OCC[NH+](C)C.[Cl-] |
| InChIKey | ZFUFAMMRSGTUQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Estocin (CAS 2424-75-1), with molecular formula C20H26ClNO3 and molecular weight 363.16 g/mol. IUPAC: 2-(2-ethoxy-2,2-diphenylacetyl)oxyethyl-dimethylazanium chloride.
Chemical Property Profile of Estocin
Property Insights of Estocin
The XLogP value of -1.34 indicates that Estocin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, Estocin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Estocin has 1 hydrogen bond donor(s) and 4 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 Estocin?
The CAS number of Estocin is 2424-75-1.
What is the molecular formula of Estocin?
The molecular formula of Estocin is C20H26ClNO3.
What is the molecular weight of Estocin?
The molecular weight of Estocin is 363.16 g/mol.
Where can I buy Estocin?
You can request a quote for Estocin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Estocin?
Yes, KEHONG BIO provides custom synthesis services for Estocin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.