Pyrocyclonium
TL;DR: Pyrocyclonium (CAS 4252-08-8) is a chemical compound with molecular formula C36H52I2N2O4 and molecular weight 830.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[3-(1-ethylpyrrolidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide
Also Known As: Pyrocyclonium, 1-Ethyl-1-(3-hydroxypropyl)pyrrolidinium iodide, 2,4-diphenyl-1,3-cyclobutanedicarboxylate, Pyrrolidinium, 1-ethyl-1-(3-hydroxypropyl)-, iodide, ester with (cis-1,2,trans-1,3,trans-1,4)-2,4-diphenyl-1,3-cyclobutanedicarboxylic acid (2:1), 1,1'-((2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxypropane-3,1-diyl))bis(1-ethylpyrrolidin-1-ium) diiodide, 1,1'-[(2,4-Diphenylcyclobutane-1,3-diyl)bis(carbonyloxypropane-3,1-diyl)]bis(1-ethylpyrrolidin-1-ium) diiodide
| Molecular Formula | C36H52I2N2O4 |
|---|---|
| Molecular Weight | 830.20 g/mol |
| LogP | -0.0644 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 830.20166 |
| Heavy Atoms | 44 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 4252-08-8 |
|---|---|
| SMILES | CC[N+]1(CCCC1)CCCOC(=O)C2C(C(C2C3=CC=CC=C3)C(=O)OCCC[N+]4(CCCC4)CC)C5=CC=CC=C5.[I-].[I-] |
| InChIKey | VEVFKGCZDTWDFJ-UHFFFAOYSA-L |
Product Overview
Pyrocyclonium (CAS 4252-08-8), with molecular formula C36H52I2N2O4 and molecular weight 830.20 g/mol. IUPAC: bis[3-(1-ethylpyrrolidin-1-ium-1-yl)propyl] 2,4-diphenylcyclobutane-1,3-dicarboxylate diiodide.
Chemical Property Profile of Pyrocyclonium
Property Insights of Pyrocyclonium
The XLogP value of -0.0644 indicates that Pyrocyclonium 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, Pyrocyclonium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrocyclonium 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 Pyrocyclonium?
The CAS number of Pyrocyclonium is 4252-08-8.
What is the molecular formula of Pyrocyclonium?
The molecular formula of Pyrocyclonium is C36H52I2N2O4.
What is the molecular weight of Pyrocyclonium?
The molecular weight of Pyrocyclonium is 830.20 g/mol.
Where can I buy Pyrocyclonium?
You can request a quote for Pyrocyclonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrocyclonium?
Yes, KEHONG BIO provides custom synthesis services for Pyrocyclonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.