Trantelinium
TL;DR: Trantelinium (CAS 22059-05-8) is a chemical compound with molecular formula C23H26NO3+ and molecular weight 364.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate
Also Known As: Trantelinium, Trantelinium ion, Trantelinium cation, (1r,5s)-8,8-dimethyl-3-[(9h-xanthen-9-ylcarbonyl)oxy]-8-azoniabicyclo[3.2.1]octane, 1alphaH,5alphaH-Tropanium, 3alpha-hydroxy-8-methyl-, xanthene-9-carboxylate (ester)
| Molecular Formula | C23H26NO3+ |
|---|---|
| Molecular Weight | 364.19 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 364.19125 |
| Heavy Atoms | 27 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 22059-05-8 |
|---|---|
| SMILES | C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35)C |
| InChIKey | KBVFFWSKLQHNSS-SJPCQFCGSA-N |
Product Overview
Trantelinium (CAS 22059-05-8), with molecular formula C23H26NO3+ and molecular weight 364.19 g/mol. IUPAC: [(1S,5R)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 9H-xanthene-9-carboxylate.
Chemical Property Profile of Trantelinium
Property Insights of Trantelinium
The XLogP value of 3.8 indicates that Trantelinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Trantelinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trantelinium 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 Trantelinium?
The CAS number of Trantelinium is 22059-05-8.
What is the molecular formula of Trantelinium?
The molecular formula of Trantelinium is C23H26NO3+.
What is the molecular weight of Trantelinium?
The molecular weight of Trantelinium is 364.19 g/mol.
Where can I buy Trantelinium?
You can request a quote for Trantelinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trantelinium?
Yes, KEHONG BIO provides custom synthesis services for Trantelinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.