![[1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate structure](/static/products/4200/42002-71-1.webp)
[1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate
TL;DR: [1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate (CAS 42002-71-1) is a chemical compound with molecular formula C18H24NO3+ and molecular weight 302.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(1-oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate
Also Known As: [1-(1-oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate|3-(ACETYLOXY)-1-(1-OXO-1-PHENYLPROPAN-2-YL)-1-AZABICYCLO[2.2.2]OCTAN-1-IUM
| Molecular Formula | C18H24NO3+ |
|---|---|
| Molecular Weight | 302.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.17563 |
| Heavy Atoms | 22 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 42002-71-1 |
|---|---|
| SMILES | CC(C(=O)C1=CC=CC=C1)[N+]23CCC(CC2)C(C3)OC(=O)C |
| InChIKey | FECSCEACYARPPN-UHFFFAOYSA-N |
Product Overview
[1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate (CAS 42002-71-1), with molecular formula C18H24NO3+ and molecular weight 302.18 g/mol. IUPAC: [1-(1-oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate.
Chemical Property Profile of [1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate
Property Insights of [1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate. With a topological polar surface area (TPSA) of 43.4 Ų, [1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate 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-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate?
The CAS number of [1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate is 42002-71-1.
What is the molecular formula of [1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate?
The molecular formula of [1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate is C18H24NO3+.
What is the molecular weight of [1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate?
The molecular weight of [1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate is 302.18 g/mol.
Where can I buy [1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate?
You can request a quote for [1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [1-(1-Oxo-1-phenylpropan-2-yl)-1-azoniabicyclo[2.2.2]octan-3-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.