N-己基毛果芸香碱碘化物
TL;DR: N-己基毛果芸香碱碘化物 (CAS 63868-84-8) is a chemical compound with molecular formula C17H29IN2O2 and molecular weight 420.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-己基毛果芸香碱碘化物
3-ethyl-4-[(3-hexyl-3-methylimidazol-3-ium-4-yl)methyl]oxolan-2-one iodide
Also Known As: N-Hexylpilocarpinium iodide, Pilocarpinium, N-hexyl-, iodide, 1H-Imidazolium, 5-((4-ethyltetrahydro-5-oxo-3-furanyl)methyl)-1-hexyl-1-methyl-, iodide, (3R-cis)-, 3-ethyl-4-[(3-hexyl-3-methylimidazol-3-ium-4-yl)methyl]oxolan-2-one iodide, 5-[(4-Ethyl-5-oxooxolan-3-yl)methyl]-1-hexyl-1-methyl-1H-imidazol-1-ium iodide
| Molecular Formula | C17H29IN2O2 |
|---|---|
| Molecular Weight | 420.13 g/mol |
| LogP | 0.49 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 420.12738 |
| Heavy Atoms | 22 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 63868-84-8 |
|---|---|
| SMILES | CCCCCC[N+]1(C=NC=C1CC2COC(=O)C2CC)C.[I-] |
| InChIKey | KNARRYGFWQNJAY-UHFFFAOYSA-M |
Product Overview
N-己基毛果芸香碱碘化物 (CAS 63868-84-8), with molecular formula C17H29IN2O2 and molecular weight 420.13 g/mol. IUPAC: 3-ethyl-4-[(3-hexyl-3-methylimidazol-3-ium-4-yl)methyl]oxolan-2-one iodide.
Chemical Property Profile of N-己基毛果芸香碱碘化物
Property Insights of N-己基毛果芸香碱碘化物
The XLogP value of 0.49 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-己基毛果芸香碱碘化物. With a topological polar surface area (TPSA) of 38.7 Ų, N-己基毛果芸香碱碘化物 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-己基毛果芸香碱碘化物 has 0 hydrogen bond donor(s) and 4 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 N-己基毛果芸香碱碘化物?
The CAS number of N-己基毛果芸香碱碘化物 is 63868-84-8.
What is the molecular formula of N-己基毛果芸香碱碘化物?
The molecular formula of N-己基毛果芸香碱碘化物 is C17H29IN2O2.
What is the molecular weight of N-己基毛果芸香碱碘化物?
The molecular weight of N-己基毛果芸香碱碘化物 is 420.13 g/mol.
Where can I buy N-己基毛果芸香碱碘化物?
You can request a quote for N-己基毛果芸香碱碘化物 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-己基毛果芸香碱碘化物?
Yes, KEHONG BIO provides custom synthesis services for N-己基毛果芸香碱碘化物 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.