Phenylacetoxytropane
TL;DR: Phenylacetoxytropane (CAS 16052-33-8) is a chemical compound with molecular formula C16H21NO2 and molecular weight 259.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylacetate
Also Known As: phenylacetoxytropane, Tropanyl phenylacetate, 3-phenylacetoxytropane, Atropine Impurity 16, Atropine Impurity 22
| Molecular Formula | C16H21NO2 |
|---|---|
| Molecular Weight | 259.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.15723 |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 16052-33-8 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)CC3=CC=CC=C3 |
| InChIKey | DCINQANYMBYYCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylacetoxytropane (CAS 16052-33-8), with molecular formula C16H21NO2 and molecular weight 259.16 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-phenylacetate.
Chemical Property Profile of Phenylacetoxytropane
Property Insights of Phenylacetoxytropane
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylacetoxytropane. With a topological polar surface area (TPSA) of 29.5 Ų, Phenylacetoxytropane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylacetoxytropane 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 Phenylacetoxytropane?
The CAS number of Phenylacetoxytropane is 16052-33-8.
What is the molecular formula of Phenylacetoxytropane?
The molecular formula of Phenylacetoxytropane is C16H21NO2.
What is the molecular weight of Phenylacetoxytropane?
The molecular weight of Phenylacetoxytropane is 259.16 g/mol.
Where can I buy Phenylacetoxytropane?
You can request a quote for Phenylacetoxytropane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylacetoxytropane?
Yes, KEHONG BIO provides custom synthesis services for Phenylacetoxytropane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.