4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide
TL;DR: 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide (CAS 53310-19-3) is a chemical compound with molecular formula C15H30INO and molecular weight 367.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triethyl-(6-hydroxy-6-methyloct-4-ynyl)azanium iodide
Also Known As: 6-Hydroxy-6-methyl-N,N,N-triethyl-4-octyn-1-aminium iodide, 4-OCTYN-1-AMINIUM, 6-HYDROXY-6-METHYL-N,N,N-TRIETHYL-, IODIDE, triethyl-(6-hydroxy-6-methyloct-4-ynyl)azanium iodide, N,N,N-triethyl-6-hydroxy-6-methyloct-4-yn-1-aminium iodide, RefChem:1071335
| Molecular Formula | C15H30INO |
|---|---|
| Molecular Weight | 367.14 g/mol |
| LogP | -0.19 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 367.1372 |
| Heavy Atoms | 18 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 53310-19-3 |
|---|---|
| SMILES | CCC(C)(C#CCCC[N+](CC)(CC)CC)O.[I-] |
| InChIKey | JFYCKWUNTNUXMB-UHFFFAOYSA-M |
Product Overview
4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide (CAS 53310-19-3), with molecular formula C15H30INO and molecular weight 367.14 g/mol. IUPAC: triethyl-(6-hydroxy-6-methyloct-4-ynyl)azanium iodide.
Chemical Property Profile of 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide
Property Insights of 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide
The XLogP value of -0.19 indicates that 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 20.2 Ų, 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide has 1 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 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide?
The CAS number of 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide is 53310-19-3.
What is the molecular formula of 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide?
The molecular formula of 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide is C15H30INO.
What is the molecular weight of 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide?
The molecular weight of 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide is 367.14 g/mol.
Where can I buy 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide?
You can request a quote for 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for 4-Octyn-1-aminium, 6-hydroxy-6-methyl-N,N,N-triethyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.