RefChem:1055728
TL;DR: RefChem:1055728 (CAS 4350-27-0) is a chemical compound with molecular formula C14H30I2N2O2 and molecular weight 512.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-[3-(1-methylpiperidin-1-ium-1-yl)propanoyloxy]ethyl]azanium diiodide
Also Known As: NIOSH/TN5953150, 1-(2-Carboxyethyl)-1-methylpiperidinium iodide ester with choline iodide, 1-methyl-1-{3-oxo-3-[2-(trimethylammonio)ethoxy]propyl}piperidinium diiodide, Piperidinium, 1-(2-carboxyethyl)-1-methyl-, iodide, ester with choline iodide, 2-(Trimethylammonio)ethyl 3-(1-methylpiperidinio)propionate diiodide
| Molecular Formula | C14H30I2N2O2 |
|---|---|
| Molecular Weight | 512.04 g/mol |
| LogP | -4.7356 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 512.0397 |
| Heavy Atoms | 20 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 4350-27-0 |
|---|---|
| SMILES | C[N+]1(CCCCC1)CCC(=O)OCC[N+](C)(C)C.[I-].[I-] |
| InChIKey | HPZYZVSMMLCTGY-UHFFFAOYSA-L |
Product Overview
RefChem:1055728 (CAS 4350-27-0), with molecular formula C14H30I2N2O2 and molecular weight 512.04 g/mol. IUPAC: trimethyl-[2-[3-(1-methylpiperidin-1-ium-1-yl)propanoyloxy]ethyl]azanium diiodide.
Chemical Property Profile of RefChem:1055728
Property Insights of RefChem:1055728
The XLogP value of -4.7356 indicates that RefChem:1055728 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, RefChem:1055728 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1055728 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1055728?
The CAS number of RefChem:1055728 is 4350-27-0.
What is the molecular formula of RefChem:1055728?
The molecular formula of RefChem:1055728 is C14H30I2N2O2.
What is the molecular weight of RefChem:1055728?
The molecular weight of RefChem:1055728 is 512.04 g/mol.
Where can I buy RefChem:1055728?
You can request a quote for RefChem:1055728 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1055728?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1055728 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.