Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, iodide
TL;DR: Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, iodide (CAS 13642-29-0) is a chemical compound with molecular formula C13H18INO and molecular weight 331.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclohexan-1-one iodide
Also Known As: 1-Naphthalenepentanal, 1-Methyl-4-((2-oxocyclohexyl)methyl)pyridinium iodide, Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, iodide, 2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclohexan-1-one iodide, 2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclohexan-1-one,iodide
| Molecular Formula | C13H18INO |
|---|---|
| Molecular Weight | 331.04 g/mol |
| LogP | -1.1831 |
| Topological Polar Surface Area | 21.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.0433 |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 13642-29-0 |
|---|---|
| SMILES | C[N+]1=CC=C(C=C1)CC2CCCCC2=O.[I-] |
| InChIKey | PBFCUBYTGNGAIA-UHFFFAOYSA-M |
Product Overview
Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, iodide (CAS 13642-29-0), with molecular formula C13H18INO and molecular weight 331.04 g/mol. IUPAC: 2-[(1-methylpyridin-1-ium-4-yl)methyl]cyclohexan-1-one iodide.
Chemical Property Profile of Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, iodide
Property Insights of Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, iodide
The XLogP value of -1.1831 indicates that Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, 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, Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, 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 Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, iodide?
The CAS number of Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, iodide is 13642-29-0.
What is the molecular formula of Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, iodide?
The molecular formula of Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, iodide is C13H18INO.
What is the molecular weight of Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, iodide?
The molecular weight of Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, iodide is 331.04 g/mol.
Where can I buy Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, iodide?
You can request a quote for Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, iodide?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 1-methyl-4-((2-oxocyclohexyl)methyl)-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.