RefChem:1090327
TL;DR: RefChem:1090327 (CAS 109161-16-2) is a chemical compound with molecular formula C12H28I2N2O2 and molecular weight 486.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-methyl-3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]azanium diiodide
Also Known As: NIOSH/TX2263000, (2-Carboxypropyl)trimethylammonium iodide ester with choline iodide, 2-Trimethylammonioethyl 2-methyl-3-trimethylammoniopropionate diiodide, AMMONIUM, (2-CARBOXYPROPYL)TRIMETHYL-, IODIDE, ESTER with CHOLINE IODIDE, Choline, iodide, ester with (2-carboxypropyl)trimethylammonium diiodide
| Molecular Formula | C12H28I2N2O2 |
|---|---|
| Molecular Weight | 486.02 g/mol |
| LogP | -5.41 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 486.02402 |
| Heavy Atoms | 18 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 109161-16-2 |
|---|---|
| SMILES | CC(C[N+](C)(C)C)C(=O)OCC[N+](C)(C)C.[I-].[I-] |
| InChIKey | CGLWUEGMGLWORZ-UHFFFAOYSA-L |
Product Overview
RefChem:1090327 (CAS 109161-16-2), with molecular formula C12H28I2N2O2 and molecular weight 486.02 g/mol. IUPAC: trimethyl-[2-methyl-3-oxo-3-[2-(trimethylazaniumyl)ethoxy]propyl]azanium diiodide.
Chemical Property Profile of RefChem:1090327
Property Insights of RefChem:1090327
The XLogP value of -5.41 indicates that RefChem:1090327 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:1090327 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1090327 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:1090327?
The CAS number of RefChem:1090327 is 109161-16-2.
What is the molecular formula of RefChem:1090327?
The molecular formula of RefChem:1090327 is C12H28I2N2O2.
What is the molecular weight of RefChem:1090327?
The molecular weight of RefChem:1090327 is 486.02 g/mol.
Where can I buy RefChem:1090327?
You can request a quote for RefChem:1090327 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1090327?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1090327 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.