2-(Benzoyloxy)-N,N,N-trimethylpropan-1-aminium iodide
TL;DR: 2-(Benzoyloxy)-N,N,N-trimethylpropan-1-aminium iodide (CAS 62438-76-0) 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.
2-benzoyloxypropyl(trimethyl)azanium iodide
Also Known As: cis-2-N-Benzyloxycyclopropyl-N,N,N-trimethylammonium iodide, 2-benzoyloxypropyl(trimethyl)azanium iodide, 2-(benzoyloxy)-N,N,N-trimethylpropan-1-aminium iodide, AMMONIUM, cis-(2-N-BENZYLOXYCYCLOPROPYL)-N,N,N-TRIMETHYL-, IODIDE, Cyclopropanaminium, N,N,N-trimethyl-2-(phenylmethoxy)-, iodide, cis-
| Molecular Formula | C13H20INO2 |
|---|---|
| Molecular Weight | 349.05 g/mol |
| LogP | -1.06 |
| 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 | 227.0 |
Chemical Identifiers
| CAS Number | 62438-76-0 |
|---|---|
| SMILES | CC(C[N+](C)(C)C)OC(=O)C1=CC=CC=C1.[I-] |
| InChIKey | APPCGOGGJODGIM-UHFFFAOYSA-M |
Product Overview
2-(Benzoyloxy)-N,N,N-trimethylpropan-1-aminium iodide (CAS 62438-76-0), with molecular formula C13H20INO2 and molecular weight 349.05 g/mol. IUPAC: 2-benzoyloxypropyl(trimethyl)azanium iodide.
Chemical Property Profile of 2-(Benzoyloxy)-N,N,N-trimethylpropan-1-aminium iodide
Property Insights of 2-(Benzoyloxy)-N,N,N-trimethylpropan-1-aminium iodide
The XLogP value of -1.06 indicates that 2-(Benzoyloxy)-N,N,N-trimethylpropan-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-(Benzoyloxy)-N,N,N-trimethylpropan-1-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzoyloxy)-N,N,N-trimethylpropan-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-trimethylpropan-1-aminium iodide?
The CAS number of 2-(Benzoyloxy)-N,N,N-trimethylpropan-1-aminium iodide is 62438-76-0.
What is the molecular formula of 2-(Benzoyloxy)-N,N,N-trimethylpropan-1-aminium iodide?
The molecular formula of 2-(Benzoyloxy)-N,N,N-trimethylpropan-1-aminium iodide is C13H20INO2.
What is the molecular weight of 2-(Benzoyloxy)-N,N,N-trimethylpropan-1-aminium iodide?
The molecular weight of 2-(Benzoyloxy)-N,N,N-trimethylpropan-1-aminium iodide is 349.05 g/mol.
Where can I buy 2-(Benzoyloxy)-N,N,N-trimethylpropan-1-aminium iodide?
You can request a quote for 2-(Benzoyloxy)-N,N,N-trimethylpropan-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-trimethylpropan-1-aminium iodide?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzoyloxy)-N,N,N-trimethylpropan-1-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.