Pan-W-4
TL;DR: Pan-W-4 (CAS 78005-05-7) is a chemical compound with molecular formula C19H25IN2O4 and molecular weight 472.09 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-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide
Also Known As: Pan-W-4, 2,4'-Bipyridinium, 1',4'-dihydro-3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester, 1',4'-Dihydro-3',5'-dicarboxy-1,2',6'-trimethyl-2,4'-bipyridinium iodide diethyl ester, diethyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide, diethyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate,iodide
| Molecular Formula | C19H25IN2O4 |
|---|---|
| Molecular Weight | 472.09 g/mol |
| LogP | -1.12 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.0859 |
| Heavy Atoms | 26 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 78005-05-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=[N+]2C)C(=O)OCC)C)C.[I-] |
| InChIKey | MMXSHNFISDTKNX-UHFFFAOYSA-N |
Product Overview
Pan-W-4 (CAS 78005-05-7), with molecular formula C19H25IN2O4 and molecular weight 472.09 g/mol. IUPAC: diethyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide.
Chemical Property Profile of Pan-W-4
Property Insights of Pan-W-4
The XLogP value of -1.12 indicates that Pan-W-4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Pan-W-4. Following Lipinski's Rule of Five, Pan-W-4 has 1 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 Pan-W-4?
The CAS number of Pan-W-4 is 78005-05-7.
What is the molecular formula of Pan-W-4?
The molecular formula of Pan-W-4 is C19H25IN2O4.
What is the molecular weight of Pan-W-4?
The molecular weight of Pan-W-4 is 472.09 g/mol.
Where can I buy Pan-W-4?
You can request a quote for Pan-W-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pan-W-4?
Yes, KEHONG BIO provides custom synthesis services for Pan-W-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.