1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide
TL;DR: 1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide (CAS 96536-30-0) is a chemical compound with molecular formula C13H24INO and molecular weight 337.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-(1-methylpiperidin-1-ium-1-yl)hex-4-en-3-one iodide
Also Known As: 1-Methyl-1-(5-methyl-3-oxo-4-hexenyl)piperidinium iodide, Piperidinium, 1-methyl-1-(5-methyl-3-oxo-4-hexenyl)-, iodide, 1-METHYL-1-(5-METHYL-3-OXOHEX-4-EN-1-YL)PIPERIDIN-1-IUM IODIDE, 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)hex-4-en-3-one iodide, 5-methyl-1-(1-methyl-3,4,5,6-tetrahydro-2H-pyridin-1-yl)hex-4-en-3-one Iodide
| Molecular Formula | C13H24INO |
|---|---|
| Molecular Weight | 337.09 g/mol |
| LogP | -0.4537 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.09027 |
| Heavy Atoms | 16 |
| Complexity | 250.6582 |
Chemical Identifiers
| CAS Number | 96536-30-0 |
|---|---|
| SMILES | CC(=CC(=O)CC[N+]1(CCCCC1)C)C.[I-] |
Product Overview
1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide (CAS 96536-30-0), with molecular formula C13H24INO and molecular weight 337.09 g/mol. IUPAC: 5-methyl-1-(1-methylpiperidin-1-ium-1-yl)hex-4-en-3-one iodide.
Chemical Property Profile of 1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide
Property Insights of 1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide
The XLogP value of -0.4537 indicates that 1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-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 17.07 Ų, 1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium 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 1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide?
The CAS number of 1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide is 96536-30-0.
What is the molecular formula of 1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide?
The molecular formula of 1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide is C13H24INO.
What is the molecular weight of 1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide?
The molecular weight of 1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide is 337.09 g/mol.
Where can I buy 1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide?
You can request a quote for 1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-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 1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1-(5-methyl-3-oxohex-4-en-1-yl)piperidin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.