1-Oxido-4-(2-phenylethyl)pyridin-1-ium
TL;DR: 1-Oxido-4-(2-phenylethyl)pyridin-1-ium (CAS 54813-51-3) is a chemical compound with molecular formula C13H13NO and molecular weight 199.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxido-4-(2-phenylethyl)pyridin-1-ium
Also Known As: 1-oxido-4-phenethylpyridin-1-ium, 1-oxido-4-(2-phenylethyl)pyridin-1-ium, 1-Oxo-4-(2-phenylethyl)-1lambda~5~-pyridine
| Molecular Formula | C13H13NO |
|---|---|
| Molecular Weight | 199.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 25.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.09972 |
| Heavy Atoms | 15 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 54813-51-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC2=CC=[N+](C=C2)[O-] |
| InChIKey | KCRKAFHOYSSLFT-UHFFFAOYSA-N |
Product Overview
1-Oxido-4-(2-phenylethyl)pyridin-1-ium (CAS 54813-51-3), with molecular formula C13H13NO and molecular weight 199.10 g/mol. IUPAC: 1-oxido-4-(2-phenylethyl)pyridin-1-ium.
Chemical Property Profile of 1-Oxido-4-(2-phenylethyl)pyridin-1-ium
Property Insights of 1-Oxido-4-(2-phenylethyl)pyridin-1-ium
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Oxido-4-(2-phenylethyl)pyridin-1-ium. With a topological polar surface area (TPSA) of 25.5 Ų, 1-Oxido-4-(2-phenylethyl)pyridin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Oxido-4-(2-phenylethyl)pyridin-1-ium has 0 hydrogen bond donor(s) and 1 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-Oxido-4-(2-phenylethyl)pyridin-1-ium?
The CAS number of 1-Oxido-4-(2-phenylethyl)pyridin-1-ium is 54813-51-3.
What is the molecular formula of 1-Oxido-4-(2-phenylethyl)pyridin-1-ium?
The molecular formula of 1-Oxido-4-(2-phenylethyl)pyridin-1-ium is C13H13NO.
What is the molecular weight of 1-Oxido-4-(2-phenylethyl)pyridin-1-ium?
The molecular weight of 1-Oxido-4-(2-phenylethyl)pyridin-1-ium is 199.10 g/mol.
Where can I buy 1-Oxido-4-(2-phenylethyl)pyridin-1-ium?
You can request a quote for 1-Oxido-4-(2-phenylethyl)pyridin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Oxido-4-(2-phenylethyl)pyridin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1-Oxido-4-(2-phenylethyl)pyridin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.