RefChem:1090324
TL;DR: RefChem:1090324 (CAS 109042-63-9) is a chemical compound with molecular formula C13H30I2N2O2 and molecular weight 500.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2-dimethyl-3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]-trimethylazanium diiodide
Also Known As: NIOSH/TX2262000, (2-Carboxy-2-methylpropyl)trimethylammonium iodide ester with choline iodide, 2-Trimethylammonioethyl 2,2-dimethyl-3-trimethylammoniopropionate diiodide, [2,2-dimethyl-3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]-trimethylazanium diiodide, Ammonium, (2-carboxy-2-methylpropyl)trimethyl-, iodide, ester with choline iodide
| Molecular Formula | C13H30I2N2O2 |
|---|---|
| Molecular Weight | 500.04 g/mol |
| LogP | -5.02 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.03967 |
| Heavy Atoms | 19 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 109042-63-9 |
|---|---|
| SMILES | CC(C)(C[N+](C)(C)C)C(=O)OCC[N+](C)(C)C.[I-].[I-] |
| InChIKey | AQMJRRJYEWFFGT-UHFFFAOYSA-L |
Product Overview
RefChem:1090324 (CAS 109042-63-9), with molecular formula C13H30I2N2O2 and molecular weight 500.04 g/mol. IUPAC: [2,2-dimethyl-3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]-trimethylazanium diiodide.
Chemical Property Profile of RefChem:1090324
Property Insights of RefChem:1090324
The XLogP value of -5.02 indicates that RefChem:1090324 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:1090324 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1090324 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:1090324?
The CAS number of RefChem:1090324 is 109042-63-9.
What is the molecular formula of RefChem:1090324?
The molecular formula of RefChem:1090324 is C13H30I2N2O2.
What is the molecular weight of RefChem:1090324?
The molecular weight of RefChem:1090324 is 500.04 g/mol.
Where can I buy RefChem:1090324?
You can request a quote for RefChem:1090324 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1090324?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1090324 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.