![2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide structure](/static/products/1364/13640-48-7.webp)
2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide
TL;DR: 2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide (CAS 13640-48-7) is a chemical compound with molecular formula C13H16INO and molecular weight 329.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide
Also Known As: 1-Methyl-3-((2-oxocyclohexylidene)methyl)pyridinium iodide, Pyridinium, 1-methyl-3-((2-oxocyclohexylidene)methyl)-, iodide
| Molecular Formula | C13H16INO |
|---|---|
| Molecular Weight | 329.03 g/mol |
| LogP | -0.9584 |
| Topological Polar Surface Area | 21.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.02765 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 13640-48-7 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1)C=C2CCCCC2=O.[I-] |
| InChIKey | BMZHTSJXDJOKQT-UHFFFAOYSA-M |
Product Overview
2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide (CAS 13640-48-7), with molecular formula C13H16INO and molecular weight 329.03 g/mol. IUPAC: 2-[(1-methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide.
Chemical Property Profile of 2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide
Property Insights of 2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide
The XLogP value of -0.9584 indicates that 2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.0 Ų, 2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one 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 2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide?
The CAS number of 2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide is 13640-48-7.
What is the molecular formula of 2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide?
The molecular formula of 2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide is C13H16INO.
What is the molecular weight of 2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide?
The molecular weight of 2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide is 329.03 g/mol.
Where can I buy 2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide?
You can request a quote for 2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1-Methylpyridin-1-ium-3-yl)methylidene]cyclohexan-1-one iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.