![3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium structure](/static/products/7345/734528-50-8.webp)
3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium
TL;DR: 3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium (CAS 734528-50-8) is a chemical compound with molecular formula C16H17N2O2+ and molecular weight 269.13 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
Also Known As: 3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium, 3-[(1,3,3a,4,7,7a-Hexahydro-1,3-dioxo-4,7-methano-2H-isoindol-2-yl)methyl]-1-methylpyridinium, 3-[(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridin-1-ium
| Molecular Formula | C16H17N2O2+ |
|---|---|
| Molecular Weight | 269.13 g/mol |
| LogP | 0.8182 |
| Topological Polar Surface Area | 41.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.129 |
| Heavy Atoms | 20 |
| Complexity | 607.11896 |
Chemical Identifiers
| CAS Number | 734528-50-8 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1)CN2C(=O)C3C4CC(C3C2=O)C=C4 |
Product Overview
3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium (CAS 734528-50-8), with molecular formula C16H17N2O2+ and molecular weight 269.13 g/mol. IUPAC: 4-[(1-methylpyridin-1-ium-3-yl)methyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione.
Chemical Property Profile of 3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium
Property Insights of 3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium
The XLogP value of 0.8182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium. With a topological polar surface area (TPSA) of 41.26 Ų, 3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium 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-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium?
The CAS number of 3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium is 734528-50-8.
What is the molecular formula of 3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium?
The molecular formula of 3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium is C16H17N2O2+.
What is the molecular weight of 3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium?
The molecular weight of 3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium is 269.13 g/mol.
Where can I buy 3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium?
You can request a quote for 3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium 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-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium?
Yes, KEHONG BIO provides custom synthesis services for 3-[(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)methyl]-1-methylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.