Choline iodide, diester with truxillic acid
TL;DR: Choline iodide, diester with truxillic acid (CAS 10066-71-4) is a chemical compound with molecular formula C28H40I2N2O4 and molecular weight 722.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,4-diphenyl-3-[2-(trimethylazaniumyl)ethoxycarbonyl]cyclobutanecarbonyl]oxyethyl-trimethylazanium diiodide
Also Known As: Choline iodide, diester with truxillic acid, Choline iodide,diester with truxillic acid, Choline iodide, ester with (cis-1,2,trans-1,3,trans-1,4)-2,4-diphenyl-1,3- cyclobutanedicarboxylic acid (2:1), 2,2'-[(2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxy)]bis(N,N,N-trimethylethan-1-aminium) diiodide, 2-[2,4-diphenyl-3-[2-(trimethylazaniumyl)ethoxycarbonyl]cyclobutanecarbonyl]oxyethyl-trimethylazanium diiodide
| Molecular Formula | C28H40I2N2O4 |
|---|---|
| Molecular Weight | 722.11 g/mol |
| LogP | -2.6932 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 722.1077 |
| Heavy Atoms | 36 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 10066-71-4 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)C1C(C(C1C2=CC=CC=C2)C(=O)OCC[N+](C)(C)C)C3=CC=CC=C3.[I-].[I-] |
| InChIKey | XUWIYVGBSHCKBR-UHFFFAOYSA-L |
Product Overview
Choline iodide, diester with truxillic acid (CAS 10066-71-4), with molecular formula C28H40I2N2O4 and molecular weight 722.11 g/mol. IUPAC: 2-[2,4-diphenyl-3-[2-(trimethylazaniumyl)ethoxycarbonyl]cyclobutanecarbonyl]oxyethyl-trimethylazanium diiodide.
Chemical Property Profile of Choline iodide, diester with truxillic acid
Property Insights of Choline iodide, diester with truxillic acid
The XLogP value of -2.6932 indicates that Choline iodide, diester with truxillic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, Choline iodide, diester with truxillic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Choline iodide, diester with truxillic acid 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 Choline iodide, diester with truxillic acid?
The CAS number of Choline iodide, diester with truxillic acid is 10066-71-4.
What is the molecular formula of Choline iodide, diester with truxillic acid?
The molecular formula of Choline iodide, diester with truxillic acid is C28H40I2N2O4.
What is the molecular weight of Choline iodide, diester with truxillic acid?
The molecular weight of Choline iodide, diester with truxillic acid is 722.11 g/mol.
Where can I buy Choline iodide, diester with truxillic acid?
You can request a quote for Choline iodide, diester with truxillic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Choline iodide, diester with truxillic acid?
Yes, KEHONG BIO provides custom synthesis services for Choline iodide, diester with truxillic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.