![(8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate structure](/static/products/6972/697214-89-4.webp)
(8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate
TL;DR: (8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate (CAS 697214-89-4) is a chemical compound with molecular formula C24H28NO4+ and molecular weight 394.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate
Also Known As: Phenactropinium, PHENACTROPINIUM CHLORIDE, (8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]oct-3-yl) 2-hydroxy-2-phenyl-acetate, (8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate, 3-[Hydroxy(phenyl)acetoxy]-8-methyl-8-(2-oxo-2-phenylethyl)-8-azoniabicyclo[3.2.1]octane
| Molecular Formula | C24H28NO4+ |
|---|---|
| Molecular Weight | 394.20 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.20184 |
| Heavy Atoms | 29 |
| Complexity | 580.0 |
Chemical Identifiers
| CAS Number | 697214-89-4 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)CC(=O)C4=CC=CC=C4 |
| InChIKey | REFUXNZBPJQVLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate (CAS 697214-89-4), with molecular formula C24H28NO4+ and molecular weight 394.20 g/mol. IUPAC: (8-methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate.
Chemical Property Profile of (8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate
Property Insights of (8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate
The XLogP value of 3.8 indicates that (8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate. Following Lipinski's Rule of Five, (8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate has 1 hydrogen bond donor(s) and 4 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 (8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate?
The CAS number of (8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate is 697214-89-4.
What is the molecular formula of (8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate?
The molecular formula of (8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate is C24H28NO4+.
What is the molecular weight of (8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate?
The molecular weight of (8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate is 394.20 g/mol.
Where can I buy (8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate?
You can request a quote for (8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate?
Yes, KEHONG BIO provides custom synthesis services for (8-Methyl-8-phenacyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.