3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium
TL;DR: 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium (CAS 154618-13-0) is a chemical compound with molecular formula C8H14NO7P2+ and molecular weight 298.02454 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-hydroxy-2-(1-methylpyridin-1-ium-3-yl)-1-phosphonoethyl]phosphonic acid
Also Known As: NE 10575, 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium, [1-hydroxy-2-(1-methylpyridin-1-ium-3-yl)-1-phosphonoethyl]phosphonic acid, 3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridin-1-ium, [1-Hydroxy-2-(1-methylpyridinium-3-yl)ethylidene]bisphosphonic acid
Technical Specifications
| Molecular Formula | C8H14NO7P2+ |
| Molecular Weight | 298.02454 g/mol |
| XLogP | -3.0 |
| Topological Polar Surface Area (TPSA) | 139.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.02454 Da |
| Heavy Atoms | 18 |
| Complexity | 367.0 |
| SMILES | C[N+]1=CC=CC(=C1)CC(O)(P(=O)(O)O)P(=O)(O)O |
| InChIKey | BBNRLGQPSIXFHZ-UHFFFAOYSA-O |
Chemical Property Profile of 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium
Property Insights of 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium
The XLogP value of -3.0 indicates that 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium. Following Lipinski's Rule of Five, 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium?
The CAS number of 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium is 154618-13-0.
What is the molecular formula of 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium?
The molecular formula of 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium is C8H14NO7P2+.
What is the molecular weight of 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium?
The molecular weight of 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium is 298.02454 g/mol.
Where can I buy 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium?
You can request a quote for 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium?
Yes, CoreyChem provides custom synthesis services for 3-(2-Hydroxy-2,2-Diphosphonoethyl)-1-Methylpyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.