Truxylonium
TL;DR: Truxylonium (CAS 7387-90-8) is a chemical compound with molecular formula C38H56I2N2O4 and molecular weight 858.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[4-(1-methylpiperidin-1-ium-1-yl)butyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide
Also Known As: Truxylonium, Truxillonium, Piperidinium, 1-(4-hydroxybutyl)-1-methyl-, iodide, 2,4-diphenyl-1,3-cyclobutanedicarboxylate (2:1), cis-2,trans-3,trans-4-, Piperidinium, 1-(4-hydroxybutyl)-1-methyl-, iodide, ester with (cis-1,2,cis-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1), 1,1'-((2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxybutane-4,1-diyl))bis(1-methylpiperidin-1-ium) diiodide
| Molecular Formula | C38H56I2N2O4 |
|---|---|
| Molecular Weight | 858.23 g/mol |
| LogP | 0.7158 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 858.233 |
| Heavy Atoms | 46 |
| Complexity | 799.0 |
Chemical Identifiers
| CAS Number | 7387-90-8 |
|---|---|
| SMILES | C[N+]1(CCCCC1)CCCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCCC[N+]4(CCCCC4)C)C5=CC=CC=C5.[I-].[I-] |
| InChIKey | GPHZUTDOLSUYOQ-UHFFFAOYSA-L |
Product Overview
Truxylonium (CAS 7387-90-8), with molecular formula C38H56I2N2O4 and molecular weight 858.23 g/mol. IUPAC: bis[4-(1-methylpiperidin-1-ium-1-yl)butyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide.
Chemical Property Profile of Truxylonium
Property Insights of Truxylonium
The XLogP value of 0.7158 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Truxylonium. With a topological polar surface area (TPSA) of 52.6 Ų, Truxylonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Truxylonium has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Truxylonium?
The CAS number of Truxylonium is 7387-90-8.
What is the molecular formula of Truxylonium?
The molecular formula of Truxylonium is C38H56I2N2O4.
What is the molecular weight of Truxylonium?
The molecular weight of Truxylonium is 858.23 g/mol.
Where can I buy Truxylonium?
You can request a quote for Truxylonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Truxylonium?
Yes, KEHONG BIO provides custom synthesis services for Truxylonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.