2-(2-Phenylethyl)pyridin-1-ium-1-olate
TL;DR: 2-(2-Phenylethyl)pyridin-1-ium-1-olate (CAS 1208-56-6) 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-2-(2-phenylethyl)pyridin-1-ium
Also Known As: 2-phenethylpyridine 1-oxide, 2-(2-Phenylethyl)pyridin-1-ium-1-olate, 1-oxido-6-phenethyl-pyridine, 1-oxido-2-phenethylpyridin-1-ium, 1-oxido-2-(2-phenylethyl)pyridin-1-ium
| Molecular Formula | C13H13NO |
|---|---|
| Molecular Weight | 199.10 g/mol |
| LogP | 2.1052 |
| Topological Polar Surface Area | 26.94 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 199.09972 |
| Heavy Atoms | 15 |
| Complexity | 425.5609 |
Chemical Identifiers
| CAS Number | 1208-56-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCC2=CC=CC=[N+]2[O-] |
Product Overview
2-(2-Phenylethyl)pyridin-1-ium-1-olate (CAS 1208-56-6), with molecular formula C13H13NO and molecular weight 199.10 g/mol. IUPAC: 1-oxido-2-(2-phenylethyl)pyridin-1-ium.
Chemical Property Profile of 2-(2-Phenylethyl)pyridin-1-ium-1-olate
Property Insights of 2-(2-Phenylethyl)pyridin-1-ium-1-olate
The XLogP value of 2.1052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Phenylethyl)pyridin-1-ium-1-olate. With a topological polar surface area (TPSA) of 26.94 Ų, 2-(2-Phenylethyl)pyridin-1-ium-1-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Phenylethyl)pyridin-1-ium-1-olate 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 2-(2-Phenylethyl)pyridin-1-ium-1-olate?
The CAS number of 2-(2-Phenylethyl)pyridin-1-ium-1-olate is 1208-56-6.
What is the molecular formula of 2-(2-Phenylethyl)pyridin-1-ium-1-olate?
The molecular formula of 2-(2-Phenylethyl)pyridin-1-ium-1-olate is C13H13NO.
What is the molecular weight of 2-(2-Phenylethyl)pyridin-1-ium-1-olate?
The molecular weight of 2-(2-Phenylethyl)pyridin-1-ium-1-olate is 199.10 g/mol.
Where can I buy 2-(2-Phenylethyl)pyridin-1-ium-1-olate?
You can request a quote for 2-(2-Phenylethyl)pyridin-1-ium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Phenylethyl)pyridin-1-ium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Phenylethyl)pyridin-1-ium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.