1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide
TL;DR: 1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide (CAS 7347-85-5) is a chemical compound with molecular formula C21H28INO2 and molecular weight 453.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-benzoylphenoxy)propan-2-yl-diethyl-methylazanium iodide
Also Known As: 2-(2-(Diethylamino)propoxy)benzophenone methiodide, (1-((2-Benzoylphenoxy)methyl)ethyl)diethylmethylammonium iodide, Benzophenone, 2-(2-(diethylamino)propoxy)-, methiodide, 1-(2-benzoylphenoxy)propan-2-yl-diethyl-methylazanium iodide, 1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide
| Molecular Formula | C21H28INO2 |
|---|---|
| Molecular Weight | 453.12 g/mol |
| LogP | 1.18 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 453.1165 |
| Heavy Atoms | 25 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 7347-85-5 |
|---|---|
| SMILES | CC[N+](C)(CC)C(C)COC1=CC=CC=C1C(=O)C2=CC=CC=C2.[I-] |
| InChIKey | QKZPNMYSNWFVJF-UHFFFAOYSA-M |
Product Overview
1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide (CAS 7347-85-5), with molecular formula C21H28INO2 and molecular weight 453.12 g/mol. IUPAC: 1-(2-benzoylphenoxy)propan-2-yl-diethyl-methylazanium iodide.
Chemical Property Profile of 1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide
Property Insights of 1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide
The XLogP value of 1.18 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-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 1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide?
The CAS number of 1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide is 7347-85-5.
What is the molecular formula of 1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide?
The molecular formula of 1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide is C21H28INO2.
What is the molecular weight of 1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide?
The molecular weight of 1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide is 453.12 g/mol.
Where can I buy 1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide?
You can request a quote for 1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Benzoylphenoxy)-N,N-diethyl-N-methylpropan-2-aminium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.