4-(1-Methylpyridinium-2-yl)but-3-en-2-one iodide
TL;DR: 4-(1-Methylpyridinium-2-yl)but-3-en-2-one iodide (CAS 468744-26-5) is a chemical compound with molecular formula C10H12INO and molecular weight 289.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(1-methylpyridin-1-ium-2-yl)but-3-en-2-one iodide
Also Known As: 4-(1-methylpyridinium-2-yl)but-3-en-2-one iodide, BIM-0025052.P001, (E)-4-(1-methylpyridin-1-ium-2-yl)but-3-en-2-one;iodide, 1-methyl-2-(3-oxobut-1-en-1-yl)pyridin-1-ium iodide, 1-methyl-2-[(1E)-3-oxobut-1-en-1-yl]pyridin-1-ium iodide
| Molecular Formula | C10H12INO |
|---|---|
| Molecular Weight | 289.00 g/mol |
| LogP | -1.8827 |
| Topological Polar Surface Area | 20.95 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.99637 |
| Heavy Atoms | 13 |
| Complexity | 320.45572 |
Chemical Identifiers
| CAS Number | 468744-26-5 |
|---|---|
| SMILES | CC(=O)/C=C/C1=CC=CC=[N+]1C.[I-] |
Product Overview
4-(1-Methylpyridinium-2-yl)but-3-en-2-one iodide (CAS 468744-26-5), with molecular formula C10H12INO and molecular weight 289.00 g/mol. IUPAC: (E)-4-(1-methylpyridin-1-ium-2-yl)but-3-en-2-one iodide.
Chemical Property Profile of 4-(1-Methylpyridinium-2-yl)but-3-en-2-one iodide
Property Insights of 4-(1-Methylpyridinium-2-yl)but-3-en-2-one iodide
The XLogP value of -1.8827 indicates that 4-(1-Methylpyridinium-2-yl)but-3-en-2-one 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, 4-(1-Methylpyridinium-2-yl)but-3-en-2-one iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Methylpyridinium-2-yl)but-3-en-2-one iodide has 0 hydrogen bond donor(s) and 1 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 4-(1-Methylpyridinium-2-yl)but-3-en-2-one iodide?
The CAS number of 4-(1-Methylpyridinium-2-yl)but-3-en-2-one iodide is 468744-26-5.
What is the molecular formula of 4-(1-Methylpyridinium-2-yl)but-3-en-2-one iodide?
The molecular formula of 4-(1-Methylpyridinium-2-yl)but-3-en-2-one iodide is C10H12INO.
What is the molecular weight of 4-(1-Methylpyridinium-2-yl)but-3-en-2-one iodide?
The molecular weight of 4-(1-Methylpyridinium-2-yl)but-3-en-2-one iodide is 289.00 g/mol.
Where can I buy 4-(1-Methylpyridinium-2-yl)but-3-en-2-one iodide?
You can request a quote for 4-(1-Methylpyridinium-2-yl)but-3-en-2-one iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Methylpyridinium-2-yl)but-3-en-2-one iodide?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Methylpyridinium-2-yl)but-3-en-2-one iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.