3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-1-ium iodide
TL;DR: 3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-1-ium iodide (CAS 474002-92-1) is a chemical compound with molecular formula C16H17IN2O2 and molecular weight 396.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-methylpyridin-1-ium-3-yl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione iodide
Also Known As: 3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-1-ium iodide
| Molecular Formula | C16H17IN2O2 |
|---|---|
| Molecular Weight | 396.03 g/mol |
| LogP | -2.1778 |
| Topological Polar Surface Area | 41.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 396.03348 |
| Heavy Atoms | 21 |
| Complexity | 612.91907 |
Chemical Identifiers
| CAS Number | 474002-92-1 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1)CN2C(=O)C3C4CC(C3C2=O)C=C4.[I-] |
Product Overview
3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-1-ium iodide (CAS 474002-92-1), with molecular formula C16H17IN2O2 and molecular weight 396.03 g/mol. IUPAC: 4-[(1-methylpyridin-1-ium-3-yl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione iodide.
Chemical Property Profile of 3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-1-ium iodide
Property Insights of 3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-1-ium iodide
The XLogP value of -2.1778 indicates that 3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-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 41.26 Ų, 3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-1-ium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-1-ium 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 3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-1-ium iodide?
The CAS number of 3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-1-ium iodide is 474002-92-1.
What is the molecular formula of 3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-1-ium iodide?
The molecular formula of 3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-1-ium iodide is C16H17IN2O2.
What is the molecular weight of 3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-1-ium iodide?
The molecular weight of 3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-1-ium iodide is 396.03 g/mol.
Where can I buy 3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-1-ium iodide?
You can request a quote for 3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-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 3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-1-ium iodide?
Yes, KEHONG BIO provides custom synthesis services for 3-((1,3-dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)methyl)-1-methylpyridin-1-ium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.