2-(Heptanoyloxy)-N,N,N-trimethylethan-1-aminium iodide
TL;DR: 2-(Heptanoyloxy)-N,N,N-trimethylethan-1-aminium iodide (CAS 2922-17-0) is a chemical compound with molecular formula C12H26INO2 and molecular weight 343.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptanoyloxyethyl(trimethyl)azanium iodide
Also Known As: n-Heptanoylcholine iodide, Choline, iodide, heptanoate, (2-Hydroxyethyl)trimethylammonium iodide heptanoate, 2-heptanoyloxyethyl(trimethyl)azanium iodide, 2-(Heptanoyloxy)-N,N,N-trimethylethan-1-aminium iodide
| Molecular Formula | C12H26INO2 |
|---|---|
| Molecular Weight | 343.10 g/mol |
| LogP | -0.79 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 343.10083 |
| Heavy Atoms | 16 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 2922-17-0 |
|---|---|
| SMILES | CCCCCCC(=O)OCC[N+](C)(C)C.[I-] |
| InChIKey | VSOJECLTTFLJFC-UHFFFAOYSA-M |
Product Overview
2-(Heptanoyloxy)-N,N,N-trimethylethan-1-aminium iodide (CAS 2922-17-0), with molecular formula C12H26INO2 and molecular weight 343.10 g/mol. IUPAC: 2-heptanoyloxyethyl(trimethyl)azanium iodide.
Chemical Property Profile of 2-(Heptanoyloxy)-N,N,N-trimethylethan-1-aminium iodide
Property Insights of 2-(Heptanoyloxy)-N,N,N-trimethylethan-1-aminium iodide
The XLogP value of -0.79 indicates that 2-(Heptanoyloxy)-N,N,N-trimethylethan-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, 2-(Heptanoyloxy)-N,N,N-trimethylethan-1-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Heptanoyloxy)-N,N,N-trimethylethan-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 2-(Heptanoyloxy)-N,N,N-trimethylethan-1-aminium iodide?
The CAS number of 2-(Heptanoyloxy)-N,N,N-trimethylethan-1-aminium iodide is 2922-17-0.
What is the molecular formula of 2-(Heptanoyloxy)-N,N,N-trimethylethan-1-aminium iodide?
The molecular formula of 2-(Heptanoyloxy)-N,N,N-trimethylethan-1-aminium iodide is C12H26INO2.
What is the molecular weight of 2-(Heptanoyloxy)-N,N,N-trimethylethan-1-aminium iodide?
The molecular weight of 2-(Heptanoyloxy)-N,N,N-trimethylethan-1-aminium iodide is 343.10 g/mol.
Where can I buy 2-(Heptanoyloxy)-N,N,N-trimethylethan-1-aminium iodide?
You can request a quote for 2-(Heptanoyloxy)-N,N,N-trimethylethan-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 2-(Heptanoyloxy)-N,N,N-trimethylethan-1-aminium iodide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Heptanoyloxy)-N,N,N-trimethylethan-1-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.