1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide
TL;DR: 1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide (CAS 321392-01-2) is a chemical compound with molecular formula C11H9BrINOS and molecular weight 408.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-bromothiophen-2-yl)-2-pyridin-1-ium-1-ylethanone iodide
Also Known As: 1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide, 1-(3-bromothiophen-2-yl)-2-pyridin-1-ium-1-ylethanone;iodide, 11K-927, 1-[2-(3-bromo-2-thienyl)-2-oxoethyl]pyridinium iodide, 1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]pyridin-1-ium iodide
| Molecular Formula | C11H9BrINOS |
|---|---|
| Molecular Weight | 408.86 g/mol |
| LogP | -0.315 |
| Topological Polar Surface Area | 20.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.8633 |
| Heavy Atoms | 16 |
| Complexity | 471.84662 |
Chemical Identifiers
| CAS Number | 321392-01-2 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)CC(=O)C2=C(C=CS2)Br.[I-] |
Product Overview
1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide (CAS 321392-01-2), with molecular formula C11H9BrINOS and molecular weight 408.86 g/mol. IUPAC: 1-(3-bromothiophen-2-yl)-2-pyridin-1-ium-1-ylethanone iodide.
Chemical Property Profile of 1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide
Property Insights of 1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide
The XLogP value of -0.315 indicates that 1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.95 Ų, 1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide has 0 hydrogen bond donor(s) and 2 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 1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide?
The CAS number of 1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide is 321392-01-2.
What is the molecular formula of 1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide?
The molecular formula of 1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide is C11H9BrINOS.
What is the molecular weight of 1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide?
The molecular weight of 1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide is 408.86 g/mol.
Where can I buy 1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide?
You can request a quote for 1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-(3-Bromo-2-thienyl)-2-oxoethyl)pyridinium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.