2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide
TL;DR: 2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide (CAS 531-57-7) is a chemical compound with molecular formula C12H22I2N2 and molecular weight 447.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[(1-methylpyridin-1-ium-2-yl)methyl]azanium diiodide
Also Known As: Helveticosol 3',4'-dinitrate, 2-(beta-Diethylaminomethyl)pyridine dimethiodide, 2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide, 5-Isoxazolol,4,5-dihydro-3,4,4-trimethyl-5-phenyl, 2-{[diethyl(methyl)ammonio]methyl}-1-methylpyridinium diiodide
| Molecular Formula | C12H22I2N2 |
|---|---|
| Molecular Weight | 447.99 g/mol |
| LogP | -4.4945 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.98724 |
| Heavy Atoms | 16 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 531-57-7 |
|---|---|
| SMILES | CC[N+](C)(CC)CC1=CC=CC=[N+]1C.[I-].[I-] |
| InChIKey | SFFSJSHTQZPTMF-UHFFFAOYSA-L |
Product Overview
2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide (CAS 531-57-7), with molecular formula C12H22I2N2 and molecular weight 447.99 g/mol. IUPAC: diethyl-methyl-[(1-methylpyridin-1-ium-2-yl)methyl]azanium diiodide.
Chemical Property Profile of 2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide
Property Insights of 2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide
The XLogP value of -4.4945 indicates that 2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 3.9 Ų, 2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide 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 2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide?
The CAS number of 2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide is 531-57-7.
What is the molecular formula of 2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide?
The molecular formula of 2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide is C12H22I2N2.
What is the molecular weight of 2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide?
The molecular weight of 2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide is 447.99 g/mol.
Where can I buy 2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide?
You can request a quote for 2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide?
Yes, KEHONG BIO provides custom synthesis services for 2-((Diethylmethylammonio)methyl)-1-methylpyridinium diiodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.