4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate
TL;DR: 4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate (CAS 3478-17-9) is a chemical compound with molecular formula C21H26INO4 and molecular weight 483.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-hydroxy-2,2-diphenylacetate iodide
Also Known As: ANC 56, 4-(2-((Hydroxydiphenylacetyl)oxy)ethyl)-4-methylmorpholinium iodide, 4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate, Morpholinium, 4-(2-hydroxyethyl)-4-methyl-, iodide, benzilate, Morpholinium, 4-(2-((hydroxydiphenylacetyl)oxy)ethyl)-4-methyl-, iodide
| Molecular Formula | C21H26INO4 |
|---|---|
| Molecular Weight | 483.09 g/mol |
| LogP | -1.0535 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.09067 |
| Heavy Atoms | 27 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 3478-17-9 |
|---|---|
| SMILES | C[N+]1(CCOCC1)CCOC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O.[I-] |
| InChIKey | WAEDHXVVKVTAHB-UHFFFAOYSA-M |
Product Overview
4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate (CAS 3478-17-9), with molecular formula C21H26INO4 and molecular weight 483.09 g/mol. IUPAC: 2-(4-methylmorpholin-4-ium-4-yl)ethyl 2-hydroxy-2,2-diphenylacetate iodide.
Chemical Property Profile of 4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate
Property Insights of 4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate
The XLogP value of -1.0535 indicates that 4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.8 Ų, 4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate has 1 hydrogen bond donor(s) and 5 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 4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate?
The CAS number of 4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate is 3478-17-9.
What is the molecular formula of 4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate?
The molecular formula of 4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate is C21H26INO4.
What is the molecular weight of 4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate?
The molecular weight of 4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate is 483.09 g/mol.
Where can I buy 4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate?
You can request a quote for 4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Hydroxyethyl)-4-methylmorpholinium iodide, benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.