N-methyl-N'-oxonicotinium
TL;DR: N-methyl-N'-oxonicotinium (CAS 105740-40-7) is a chemical compound with molecular formula C11H18N2O+2 and molecular weight 194.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2R)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]-1-methylpyridin-1-ium
Also Known As: N-Methyl-N'-oxonicotinium, N-Methyl-N'-oxonicotinium ion, N-Methyl-N/'-oxonicotinium, 3-[(2R)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]-1-methylpyridin-1-ium, 3-(1-hydroxy-1-methylpyrrolidin-1-ium-2-yl)-1-methylpyridin-1-ium
| Molecular Formula | C11H18N2O+2 |
|---|---|
| Molecular Weight | 194.14 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 24.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 194.1419 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 105740-40-7 |
|---|---|
| SMILES | C[N+]1=CC=CC(=C1)[C@H]2CCC[N+]2(C)O |
| InChIKey | FNKVTZJGGWWGAI-JTDNENJMSA-N |
Product Overview
N-methyl-N'-oxonicotinium (CAS 105740-40-7), with molecular formula C11H18N2O+2 and molecular weight 194.14 g/mol. IUPAC: 3-[(2R)-1-hydroxy-1-methylpyrrolidin-1-ium-2-yl]-1-methylpyridin-1-ium.
Chemical Property Profile of N-methyl-N'-oxonicotinium
Property Insights of N-methyl-N'-oxonicotinium
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-methyl-N'-oxonicotinium. With a topological polar surface area (TPSA) of 24.1 Ų, N-methyl-N'-oxonicotinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-methyl-N'-oxonicotinium has 1 hydrogen bond donor(s) and 1 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-methyl-N'-oxonicotinium?
The CAS number of N-methyl-N'-oxonicotinium is 105740-40-7.
What is the molecular formula of N-methyl-N'-oxonicotinium?
The molecular formula of N-methyl-N'-oxonicotinium is C11H18N2O+2.
What is the molecular weight of N-methyl-N'-oxonicotinium?
The molecular weight of N-methyl-N'-oxonicotinium is 194.14 g/mol.
Where can I buy N-methyl-N'-oxonicotinium?
You can request a quote for N-methyl-N'-oxonicotinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-methyl-N'-oxonicotinium?
Yes, KEHONG BIO provides custom synthesis services for N-methyl-N'-oxonicotinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.