4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide
TL;DR: 4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide (CAS 22040-99-9) is a chemical compound with molecular formula C9H20INO2 and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-ethoxy-4-oxobutyl)-trimethylazanium iodide
Also Known As: (3-Carboxypropyl)trimethylammonium iodide ethyl ester, (4-ethoxy-4-oxobutyl)-trimethylazanium iodide, 4-ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide, AMMONIUM, (3-CARBOXYPROPYL)TRIMETHYL-, IODIDE, ETHYL ESTER, RefChem:1070591
| Molecular Formula | C9H20INO2 |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | -1.96 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.0539 |
| Heavy Atoms | 13 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 22040-99-9 |
|---|---|
| SMILES | CCOC(=O)CCC[N+](C)(C)C.[I-] |
| InChIKey | ISZHDVWAMJFTKN-UHFFFAOYSA-M |
Product Overview
4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide (CAS 22040-99-9), with molecular formula C9H20INO2 and molecular weight 301.05 g/mol. IUPAC: (4-ethoxy-4-oxobutyl)-trimethylazanium iodide.
Chemical Property Profile of 4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide
Property Insights of 4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide
The XLogP value of -1.96 indicates that 4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide 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 4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide?
The CAS number of 4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide is 22040-99-9.
What is the molecular formula of 4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide?
The molecular formula of 4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide is C9H20INO2.
What is the molecular weight of 4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide?
The molecular weight of 4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide is 301.05 g/mol.
Where can I buy 4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide?
You can request a quote for 4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxy-N,N,N-trimethyl-4-oxobutan-1-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.