1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride
TL;DR: 1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride (CAS 108357-22-8) is a chemical compound with molecular formula C28H23ClN2O3 and molecular weight 470.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]benzoyl]benzonitrile chloride
Also Known As: 1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride, 1-(3-(4-(4-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride, Pyridinium, 1-(3-(4-(4-cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenyl-, chloride, Pyridinium,1-[3-[4-(4-cyanobenzoyl)phenoxy]-2-hydroxypropyl]-4-phenyl-, chloride (1:1), 1-{3-[4-(4-Cyanobenzoyl)phenoxy]-2-hydroxypropyl}-4-phenylpyridin-1-ium chloride
| Molecular Formula | C28H23ClN2O3 |
|---|---|
| Molecular Weight | 470.14 g/mol |
| LogP | 1.18768 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 470.1397 |
| Heavy Atoms | 34 |
| Complexity | 1250.5531 |
Chemical Identifiers
| CAS Number | 108357-22-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=[N+](C=C2)CC(COC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)C#N)O.[Cl-] |
Product Overview
1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride (CAS 108357-22-8), with molecular formula C28H23ClN2O3 and molecular weight 470.14 g/mol. IUPAC: 4-[4-[2-hydroxy-3-(4-phenylpyridin-1-ium-1-yl)propoxy]benzoyl]benzonitrile chloride.
Chemical Property Profile of 1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride
Property Insights of 1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride
The XLogP value of 1.18768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride. Following Lipinski's Rule of Five, 1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride has 1 hydrogen bond donor(s) and 4 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 1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride?
The CAS number of 1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride is 108357-22-8.
What is the molecular formula of 1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride?
The molecular formula of 1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride is C28H23ClN2O3.
What is the molecular weight of 1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride?
The molecular weight of 1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride is 470.14 g/mol.
Where can I buy 1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride?
You can request a quote for 1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(p-(p-Cyanobenzoyl)phenoxy)-2-hydroxypropyl)-4-phenylpyridinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.