1-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-1-ium iodide
TL;DR: 1-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-1-ium iodide (CAS 53310-33-1) is a chemical compound with molecular formula C18H26INO and molecular weight 399.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-5-(1-methylpiperidin-1-ium-1-yl)-1-phenylpent-1-yn-3-ol iodide
Also Known As: 1-(3-Hydroxy-3-methyl-5-phenyl-4-pentynyl)-1-methyl-piperidinium iodide, Piperidinium, 1-(3-hydroxy-3-methyl-5-phenyl-4-pentynyl)-1-methyl-, iodide, 3-methyl-5-(1-methylpiperidin-1-ium-1-yl)-1-phenylpent-1-yn-3-ol iodide, 1-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-1-ium iodide, 3-methyl-5-(1-methylpiperidin-1-ium-1-yl)-1-phenylpent-1-yn-3-ol,iodide
| Molecular Formula | C18H26INO |
|---|---|
| Molecular Weight | 399.11 g/mol |
| LogP | -0.1863 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.1059 |
| Heavy Atoms | 21 |
| Complexity | 480.93494 |
Chemical Identifiers
| CAS Number | 53310-33-1 |
|---|---|
| SMILES | CC(CC[N+]1(CCCCC1)C)(C#CC2=CC=CC=C2)O.[I-] |
Product Overview
1-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-1-ium iodide (CAS 53310-33-1), with molecular formula C18H26INO and molecular weight 399.11 g/mol. IUPAC: 3-methyl-5-(1-methylpiperidin-1-ium-1-yl)-1-phenylpent-1-yn-3-ol iodide.
Chemical Property Profile of 1-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-1-ium iodide
Property Insights of 1-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-1-ium iodide
The XLogP value of -0.1863 indicates that 1-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-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 20.23 Ų, 1-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-1-ium iodide has 1 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-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-1-ium iodide?
The CAS number of 1-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-1-ium iodide is 53310-33-1.
What is the molecular formula of 1-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-1-ium iodide?
The molecular formula of 1-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-1-ium iodide is C18H26INO.
What is the molecular weight of 1-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-1-ium iodide?
The molecular weight of 1-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-1-ium iodide is 399.11 g/mol.
Where can I buy 1-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-1-ium iodide?
You can request a quote for 1-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-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-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Hydroxy-3-methyl-5-phenylpent-4-yn-1-yl)-1-methylpiperidin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.