3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide
TL;DR: 3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide (CAS 7470-43-1) is a chemical compound with molecular formula C9H11BrINO2 and molecular weight 370.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-bromopyridin-1-ium-1-yl)acetate iodide
Also Known As: Pyridinium, iodide, 1-Carbethoxymethyl-3-bromopyridinium iodide, Pyridinium, 3-bromo-1-ethoxycarbonylmethyl-, iodide, Pyridinium, 3-bromo-1-(ethoxycarbonyl)methyl-, iodide, 1-(Carbethoxy)methyl-3-bromopyridinium iodide
| Molecular Formula | C9H11BrINO2 |
|---|---|
| Molecular Weight | 370.90 g/mol |
| LogP | -1.6963 |
| Topological Polar Surface Area | 30.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.9018 |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 7470-43-1 |
|---|---|
| SMILES | CCOC(=O)C[N+]1=CC=CC(=C1)Br.[I-] |
| InChIKey | WLWFOTKHWKBUFM-UHFFFAOYSA-M |
Product Overview
3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide (CAS 7470-43-1), with molecular formula C9H11BrINO2 and molecular weight 370.90 g/mol. IUPAC: ethyl 2-(3-bromopyridin-1-ium-1-yl)acetate iodide.
Chemical Property Profile of 3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide
Property Insights of 3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide
The XLogP value of -1.6963 indicates that 3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 30.2 Ų, 3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide has 0 hydrogen bond donor(s) and 3 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 3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide?
The CAS number of 3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide is 7470-43-1.
What is the molecular formula of 3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide?
The molecular formula of 3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide is C9H11BrINO2.
What is the molecular weight of 3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide?
The molecular weight of 3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide is 370.90 g/mol.
Where can I buy 3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide?
You can request a quote for 3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1-(2-ethoxy-2-oxoethyl)pyridin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.