Troventol
TL;DR: Troventol (CAS 129109-88-2) is a chemical compound with molecular formula C20H30INO3 and molecular weight 459.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(hydroxymethyl)-2-phenylbutanoate iodide
Also Known As: Troventol, 3-{[2-(hydroxymethyl)-2-phenylbutanoyl]oxy}-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane iodide, BB 0310407, Hydroxymethylphenylbutyric acid iodomethylate tropine ester, (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(hydroxymethyl)-2-phenylbutanoate;iodide
| Molecular Formula | C20H30INO3 |
|---|---|
| Molecular Weight | 459.13 g/mol |
| LogP | -0.3563 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.12704 |
| Heavy Atoms | 25 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 129109-88-2 |
|---|---|
| SMILES | CCC(CO)(C1=CC=CC=C1)C(=O)OC2CC3CCC(C2)[N+]3(C)C.[I-] |
| InChIKey | PIQNXFBDPDECGD-UHFFFAOYSA-M |
Product Overview
Troventol (CAS 129109-88-2), with molecular formula C20H30INO3 and molecular weight 459.13 g/mol. IUPAC: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-(hydroxymethyl)-2-phenylbutanoate iodide.
Chemical Property Profile of Troventol
Property Insights of Troventol
The XLogP value of -0.3563 indicates that Troventol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, Troventol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Troventol 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 Troventol?
The CAS number of Troventol is 129109-88-2.
What is the molecular formula of Troventol?
The molecular formula of Troventol is C20H30INO3.
What is the molecular weight of Troventol?
The molecular weight of Troventol is 459.13 g/mol.
Where can I buy Troventol?
You can request a quote for Troventol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Troventol?
Yes, KEHONG BIO provides custom synthesis services for Troventol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.