![1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate structure](/static/products/850/85056-85-5.png)
1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate
TL;DR: 1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate (CAS 85056-85-5) is a chemical compound with molecular formula C26H20ClNO2 and molecular weight 413.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(4-chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate
Also Known As: 1-[2-(4-chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate, Pyridinium, 2-carboxy-1-[2-(4-chlorophenyl)ethyl]-4,6-diphenyl-, inner salt, 1-[2-(4-chlorophenyl)ethyl]-2,4-diphenyl-pyridine-6-carboxylate
| Molecular Formula | C26H20ClNO2 |
|---|---|
| Molecular Weight | 413.12 g/mol |
| LogP | 4.5677 |
| Topological Polar Surface Area | 44.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.11826 |
| Heavy Atoms | 30 |
| Complexity | 1157.0381 |
Chemical Identifiers
| CAS Number | 85056-85-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C(=O)[O-])CCC3=CC=C(C=C3)Cl)C4=CC=CC=C4 |
Product Overview
1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate (CAS 85056-85-5), with molecular formula C26H20ClNO2 and molecular weight 413.12 g/mol. IUPAC: 1-[2-(4-chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate.
Chemical Property Profile of 1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate
Property Insights of 1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate
The XLogP value of 4.5677 indicates that 1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.01 Ų, 1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate has 0 hydrogen bond donor(s) and 2 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-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate?
The CAS number of 1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate is 85056-85-5.
What is the molecular formula of 1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate?
The molecular formula of 1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate is C26H20ClNO2.
What is the molecular weight of 1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate?
The molecular weight of 1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate is 413.12 g/mol.
Where can I buy 1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate?
You can request a quote for 1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-[2-(4-Chlorophenyl)ethyl]-4,6-diphenylpyridin-1-ium-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.