4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester
TL;DR: 4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester (CAS 77985-05-8) is a chemical compound with molecular formula C19H23IN2O4 and molecular weight 470.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-4-yl)pyridine-3,5-dicarboxylate iodide
Also Known As: Pan-W-50, 3',5'-Dicarboxy-1,2',6'-trimethyl-4,4'-bipyridinium iodide diethyl ester, 4,4'-BIPYRIDINIUM, 3',5'-DICARBOXY-1,2',6'-TRIMETHYL-, IODIDE, DIETHYL ESTER, 4,4'-Bipyridinium, 3',5'-bis(ethoxycarbonyl)-1,2',6'-trimethyl-, iodide, 4-[3,5-Bis(ethoxycarbonyl)-2,6-dimethylpyridin-4-yl]-1-methylpyridin-1-ium iodide
| Molecular Formula | C19H23IN2O4 |
|---|---|
| Molecular Weight | 470.07 g/mol |
| LogP | -0.45 |
| Topological Polar Surface Area | 69.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.07025 |
| Heavy Atoms | 26 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 77985-05-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1C2=CC=[N+](C=C2)C)C(=O)OCC)C)C.[I-] |
| InChIKey | FEWMJQGTQRDMBY-UHFFFAOYSA-M |
Product Overview
4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester (CAS 77985-05-8), with molecular formula C19H23IN2O4 and molecular weight 470.07 g/mol. IUPAC: diethyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-4-yl)pyridine-3,5-dicarboxylate iodide.
Chemical Property Profile of 4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester
Property Insights of 4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester
The XLogP value of -0.45 indicates that 4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester. Following Lipinski's Rule of Five, 4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester has 0 hydrogen bond donor(s) and 6 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 4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester?
The CAS number of 4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester is 77985-05-8.
What is the molecular formula of 4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester?
The molecular formula of 4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester is C19H23IN2O4.
What is the molecular weight of 4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester?
The molecular weight of 4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester is 470.07 g/mol.
Where can I buy 4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester?
You can request a quote for 4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Bipyridinium, 3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.