Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1)
TL;DR: Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1) (CAS 17427-00-8) is a chemical compound with molecular formula C11H16INO2 and molecular weight 321.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyloxyphenyl)-trimethylazanium iodide
Also Known As: 3-Acetoxyphenyltrimethylammonium iodide, Ro 2-2017, (3-acetyloxyphenyl)-trimethylazanium,iodide, (m-Hydroxyphenyl)trimethylammonium iodide, acetate, (3-acetyloxyphenyl)-trimethylazanium iodide
| Molecular Formula | C11H16INO2 |
|---|---|
| Molecular Weight | 321.02 g/mol |
| LogP | -1.19 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 321.02258 |
| Heavy Atoms | 15 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 17427-00-8 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC(=C1)[N+](C)(C)C.[I-] |
| InChIKey | TXBGGFAHWDCORU-UHFFFAOYSA-M |
Product Overview
Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1) (CAS 17427-00-8), with molecular formula C11H16INO2 and molecular weight 321.02 g/mol. IUPAC: (3-acetyloxyphenyl)-trimethylazanium iodide.
Chemical Property Profile of Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1)
Property Insights of Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1)
The XLogP value of -1.19 indicates that Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1) 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, Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1) 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 Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1)?
The CAS number of Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1) is 17427-00-8.
What is the molecular formula of Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1)?
The molecular formula of Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1) is C11H16INO2.
What is the molecular weight of Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1)?
The molecular weight of Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1) is 321.02 g/mol.
Where can I buy Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1)?
You can request a quote for Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Benzenaminium, 3-(acetyloxy)-N,N,N-trimethyl-, iodide (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.