RefChem:1055729
TL;DR: RefChem:1055729 (CAS 4349-14-8) is a chemical compound with molecular formula C13H28I2N2O2 and molecular weight 498.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-[3-(1-methylpyrrolidin-1-ium-1-yl)propanoyloxy]ethyl]azanium diiodide
Also Known As: NIOSH/UY4565200, 1-(2-Carboxyethyl)-1-methylpyrrolidinium iodide ester with choline iodide, Pyrrolidinium, 1-methyl-1-(3-oxo-3-(2-(trimethylammonio)ethoxy)propyl)-, diiodide, 1-methyl-1-{3-oxo-3-[2-(trimethylammonio)ethoxy]propyl}pyrrolidinium diiodide, Pyrrolidinium, 1-(2-carboxyethyl)-1-methyl-, iodide, ester with choline iodide
| Molecular Formula | C13H28I2N2O2 |
|---|---|
| Molecular Weight | 498.02 g/mol |
| LogP | -5.1257 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.02402 |
| Heavy Atoms | 19 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 4349-14-8 |
|---|---|
| SMILES | C[N+]1(CCCC1)CCC(=O)OCC[N+](C)(C)C.[I-].[I-] |
| InChIKey | PVYNXGROYAXAAP-UHFFFAOYSA-L |
Product Overview
RefChem:1055729 (CAS 4349-14-8), with molecular formula C13H28I2N2O2 and molecular weight 498.02 g/mol. IUPAC: trimethyl-[2-[3-(1-methylpyrrolidin-1-ium-1-yl)propanoyloxy]ethyl]azanium diiodide.
Chemical Property Profile of RefChem:1055729
Property Insights of RefChem:1055729
The XLogP value of -5.1257 indicates that RefChem:1055729 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:1055729 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1055729 has 0 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 RefChem:1055729?
The CAS number of RefChem:1055729 is 4349-14-8.
What is the molecular formula of RefChem:1055729?
The molecular formula of RefChem:1055729 is C13H28I2N2O2.
What is the molecular weight of RefChem:1055729?
The molecular weight of RefChem:1055729 is 498.02 g/mol.
Where can I buy RefChem:1055729?
You can request a quote for RefChem:1055729 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1055729?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1055729 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.