2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide
TL;DR: 2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide (CAS 73664-20-7) is a chemical compound with molecular formula C18H22INO2 and molecular weight 411.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-benzoyloxy-2-phenylethyl)-trimethylazanium iodide
Also Known As: NIOSH/BR1578010, Ammonium, (beta-benzoyloxyphenethyl)trimethyl-, iodide, 2-Dimethylamino-1-phenylethanol, benzoate ester, methiodide, (2-benzoyloxy-2-phenylethyl)-trimethylazanium iodide, AMMONIUM, (beta-HYDROXYPHENETHYL)TRIMETHYL-, IODIDE, BENZOATE
| Molecular Formula | C18H22INO2 |
|---|---|
| Molecular Weight | 411.07 g/mol |
| LogP | 0.29 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.06952 |
| Heavy Atoms | 22 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 73664-20-7 |
|---|---|
| SMILES | C[N+](C)(C)CC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2.[I-] |
| InChIKey | JHRCBERGOHNJLQ-UHFFFAOYSA-M |
Product Overview
2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide (CAS 73664-20-7), with molecular formula C18H22INO2 and molecular weight 411.07 g/mol. IUPAC: (2-benzoyloxy-2-phenylethyl)-trimethylazanium iodide.
Chemical Property Profile of 2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide
Property Insights of 2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide
The XLogP value of 0.29 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-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-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide?
The CAS number of 2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide is 73664-20-7.
What is the molecular formula of 2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide?
The molecular formula of 2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide is C18H22INO2.
What is the molecular weight of 2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide?
The molecular weight of 2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide is 411.07 g/mol.
Where can I buy 2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide?
You can request a quote for 2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-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-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzoyloxy)-N,N,N-trimethyl-2-phenylethan-1-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.