4-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium
TL;DR: 4-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium (CAS 145832-34-4) is a chemical compound with molecular formula C13H20INO2 and molecular weight 349.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(acetyloxymethyl)phenyl]methyl-trimethylazanium iodide
Also Known As: 4-Amtmbm, 4-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium, [4-(acetyloxymethyl)phenyl]methyl-trimethylazanium;iodide, 4-Acetoxymethyl-N,N,N-trimethylbenzenemethanaminium iodide, [4-(acetyloxymethyl)phenyl]methyl-trimethylazanium iodide
| Molecular Formula | C13H20INO2 |
|---|---|
| Molecular Weight | 349.05 g/mol |
| LogP | -1.0401 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 349.0539 |
| Heavy Atoms | 17 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 145832-34-4 |
|---|---|
| SMILES | CC(=O)OCC1=CC=C(C=C1)C[N+](C)(C)C.[I-] |
| InChIKey | ASRKTCGFWYFILI-UHFFFAOYSA-M |
Product Overview
4-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium (CAS 145832-34-4), with molecular formula C13H20INO2 and molecular weight 349.05 g/mol. IUPAC: [4-(acetyloxymethyl)phenyl]methyl-trimethylazanium iodide.
Chemical Property Profile of 4-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium
Property Insights of 4-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium
The XLogP value of -1.0401 indicates that 4-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium 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-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium 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-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium?
The CAS number of 4-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium is 145832-34-4.
What is the molecular formula of 4-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium?
The molecular formula of 4-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium is C13H20INO2.
What is the molecular weight of 4-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium?
The molecular weight of 4-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium is 349.05 g/mol.
Where can I buy 4-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium?
You can request a quote for 4-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium?
Yes, KEHONG BIO provides custom synthesis services for 4-acetoxymethyl-N,N,N-trimethylbenzenemethanaminium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.