Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate
TL;DR: Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate (CAS 54099-11-5) is a chemical compound with molecular formula C20H36INO2 and molecular weight 449.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1-adamantyl)acetyl]oxyethyl-triethylazanium iodide
Also Known As: 1-Adamantaneacetic acid, 2-(diethylamino)ethyl ester, ethyl iodide, 2-[2-(1-adamantyl)acetyl]oxyethyl-triethylazanium iodide, AMMONIUM, (2-HYDROXYETHYL)TRIETHYL-, IODIDE, 1-ADAMANTANEACETATE, 2-[2-(1-adamantyl)acetyl]oxyethyl-triethylazanium,iodide, AMMONIUM,(2-HYDROXYETHYL)TRIETHYL-,IODIDE,1-ADAMANTANEACETATE
| Molecular Formula | C20H36INO2 |
|---|---|
| Molecular Weight | 449.18 g/mol |
| LogP | 1.02 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 449.17908 |
| Heavy Atoms | 24 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 54099-11-5 |
|---|---|
| SMILES | CC[N+](CC)(CC)CCOC(=O)CC12CC3CC(C1)CC(C3)C2.[I-] |
| InChIKey | NDRIOWGFCRXOSI-UHFFFAOYSA-M |
Product Overview
Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate (CAS 54099-11-5), with molecular formula C20H36INO2 and molecular weight 449.18 g/mol. IUPAC: 2-[2-(1-adamantyl)acetyl]oxyethyl-triethylazanium iodide.
Chemical Property Profile of Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate
Property Insights of Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate
The XLogP value of 1.02 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate 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 Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate?
The CAS number of Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate is 54099-11-5.
What is the molecular formula of Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate?
The molecular formula of Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate is C20H36INO2.
What is the molecular weight of Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate?
The molecular weight of Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate is 449.18 g/mol.
Where can I buy Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate?
You can request a quote for Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, (2-hydroxyethyl)triethyl-, iodide, 1-adamantaneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.