Tropiniumone
TL;DR: Tropiniumone (CAS 5334-56-5) is a chemical compound with molecular formula C8H14NO+ and molecular weight 140.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-one
Also Known As: tropiniumone, Tropinone, tropinone cation, tropiniumone cation, tropiniumone(1+)
| Molecular Formula | C8H14NO+ |
|---|---|
| Molecular Weight | 140.11 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.10754 |
| Heavy Atoms | 10 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 5334-56-5 |
|---|---|
| SMILES | C[NH+]1[C@@H]2CC[C@H]1CC(=O)C2 |
| InChIKey | QQXLDOJGLXJCSE-KNVOCYPGSA-O |
Product Overview
Tropiniumone (CAS 5334-56-5), with molecular formula C8H14NO+ and molecular weight 140.11 g/mol. IUPAC: (1S,5R)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-one.
Chemical Property Profile of Tropiniumone
Property Insights of Tropiniumone
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tropiniumone. With a topological polar surface area (TPSA) of 21.5 Ų, Tropiniumone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tropiniumone has 1 hydrogen bond donor(s) and 1 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 Tropiniumone?
The CAS number of Tropiniumone is 5334-56-5.
What is the molecular formula of Tropiniumone?
The molecular formula of Tropiniumone is C8H14NO+.
What is the molecular weight of Tropiniumone?
The molecular weight of Tropiniumone is 140.11 g/mol.
Where can I buy Tropiniumone?
You can request a quote for Tropiniumone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tropiniumone?
Yes, KEHONG BIO provides custom synthesis services for Tropiniumone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.