1-Ethyl-4-phenylpyridin-1-ium
TL;DR: 1-Ethyl-4-phenylpyridin-1-ium (CAS 117048-69-8) is a chemical compound with molecular formula C13H14N+ and molecular weight 184.11263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-4-phenylpyridin-1-ium
Also Known As: 1-ethyl-4-phenylpyridin-1-ium, 1-ethyl-4-phenylpyridinium, Pyridinium, 1-ethyl-4-phenyl-, 1-ethyl-4-phenyl-pyridine, Pyridinium,1-ethyl-4-phenyl-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H14N+ |
| Molecular Weight | 184.11263 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.11263 Da |
| Heavy Atoms | 14 |
| Complexity | 153.0 |
| SMILES | CC[N+]1=CC=C(C=C1)C2=CC=CC=C2 |
| InChIKey | RKXWFNKMYXFZTK-UHFFFAOYSA-N |
Chemical Property Profile of 1-Ethyl-4-phenylpyridin-1-ium
Property Insights of 1-Ethyl-4-phenylpyridin-1-ium
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-4-phenylpyridin-1-ium. With a topological polar surface area (TPSA) of 3.9 Ų, 1-Ethyl-4-phenylpyridin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-4-phenylpyridin-1-ium has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Ethyl-4-phenylpyridin-1-ium?
The CAS number of 1-Ethyl-4-phenylpyridin-1-ium is 117048-69-8.
What is the molecular formula of 1-Ethyl-4-phenylpyridin-1-ium?
The molecular formula of 1-Ethyl-4-phenylpyridin-1-ium is C13H14N+.
What is the molecular weight of 1-Ethyl-4-phenylpyridin-1-ium?
The molecular weight of 1-Ethyl-4-phenylpyridin-1-ium is 184.11263 g/mol.
Where can I buy 1-Ethyl-4-phenylpyridin-1-ium?
You can request a quote for 1-Ethyl-4-phenylpyridin-1-ium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethyl-4-phenylpyridin-1-ium?
Yes, CoreyChem provides custom synthesis services for 1-Ethyl-4-phenylpyridin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.