Methacryloyl-N-ethyllupinine iodide
TL;DR: Methacryloyl-N-ethyllupinine iodide (CAS 68147-57-9) is a chemical compound with molecular formula C16H28INO2 and molecular weight 393.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,9aR)-5-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 2-methylprop-2-enoate iodide
Also Known As: Methacryloyl-N-ethyllupinine iodide, Polymethacryloyl-N-ethyllupinine iodide, (C16-H28-N-O2)mult-.I, (1R-trans)-Decahydro-5-ethyl-1-(((2-methyl-1-oxo-2-propenyl)oxy)methyl)quinolizinium iodide, Quinolizinium, decahydro-5-ethyl-1-(((2-methyl-1-oxo-2-propenyl)oxy)methyl)-, iodide, (1R-trans)-
| Molecular Formula | C16H28INO2 |
|---|---|
| Molecular Weight | 393.12 g/mol |
| LogP | -0.0911 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.1165 |
| Heavy Atoms | 20 |
| Complexity | 354.38605 |
Chemical Identifiers
| CAS Number | 68147-57-9 |
|---|---|
| SMILES | CC[N+]12CCCC[C@@H]1[C@@H](CCC2)COC(=O)C(=C)C.[I-] |
Product Overview
Methacryloyl-N-ethyllupinine iodide (CAS 68147-57-9), with molecular formula C16H28INO2 and molecular weight 393.12 g/mol. IUPAC: [(1R,9aR)-5-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl]methyl 2-methylprop-2-enoate iodide.
Chemical Property Profile of Methacryloyl-N-ethyllupinine iodide
Property Insights of Methacryloyl-N-ethyllupinine iodide
The XLogP value of -0.0911 indicates that Methacryloyl-N-ethyllupinine iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, Methacryloyl-N-ethyllupinine iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methacryloyl-N-ethyllupinine 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 Methacryloyl-N-ethyllupinine iodide?
The CAS number of Methacryloyl-N-ethyllupinine iodide is 68147-57-9.
What is the molecular formula of Methacryloyl-N-ethyllupinine iodide?
The molecular formula of Methacryloyl-N-ethyllupinine iodide is C16H28INO2.
What is the molecular weight of Methacryloyl-N-ethyllupinine iodide?
The molecular weight of Methacryloyl-N-ethyllupinine iodide is 393.12 g/mol.
Where can I buy Methacryloyl-N-ethyllupinine iodide?
You can request a quote for Methacryloyl-N-ethyllupinine iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methacryloyl-N-ethyllupinine iodide?
Yes, KEHONG BIO provides custom synthesis services for Methacryloyl-N-ethyllupinine iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.