Pan-W-5
TL;DR: Pan-W-5 (CAS 53219-30-0) 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 1,2,6-trimethyl-4-pyridin-4-yl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate iodide
Also Known As: Pan-W-5, 1,4-Dihydro-3,5-dicarboxy-1,2,6-trimethyl-4,4'-bipyridinium iodide diethyl ester, 4,4'-Bipyridinium, 1,4-dihydro-3,5-dicarboxy-1,2,6-trimethyl-, iodide, diethyl ester, 4,4'-BIPYRIDINIUM, 1,4-DIHYDRO-3,5-DICARBOXY-1,2,6-TRIMETHYL-, IODIDE DIETHYL ES, diethyl 1,2,6-trimethyl-4-pyridin-4-yl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate iodide
| Molecular Formula | C19H25IN2O4 |
|---|---|
| Molecular Weight | 472.09 g/mol |
| LogP | -1.63 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.0859 |
| Heavy Atoms | 26 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 53219-30-0 |
|---|---|
| SMILES | CCOC(=O)C1=C([NH+](C(=C(C1C2=CC=NC=C2)C(=O)OCC)C)C)C.[I-] |
| InChIKey | UHIOKADSJOWDKW-UHFFFAOYSA-N |
Product Overview
Pan-W-5 (CAS 53219-30-0), with molecular formula C19H25IN2O4 and molecular weight 472.09 g/mol. IUPAC: diethyl 1,2,6-trimethyl-4-pyridin-4-yl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate iodide.
Chemical Property Profile of Pan-W-5
Property Insights of Pan-W-5
The XLogP value of -1.63 indicates that Pan-W-5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Pan-W-5. Following Lipinski's Rule of Five, Pan-W-5 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-5?
The CAS number of Pan-W-5 is 53219-30-0.
What is the molecular formula of Pan-W-5?
The molecular formula of Pan-W-5 is C19H25IN2O4.
What is the molecular weight of Pan-W-5?
The molecular weight of Pan-W-5 is 472.09 g/mol.
Where can I buy Pan-W-5?
You can request a quote for Pan-W-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pan-W-5?
Yes, KEHONG BIO provides custom synthesis services for Pan-W-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.