1-(2-Benzoylethyl)pyridinium
TL;DR: 1-(2-Benzoylethyl)pyridinium (CAS 70013-89-7) is a chemical compound with molecular formula C14H14ClNO and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-pyridin-1-ium-1-ylpropan-1-one chloride
Also Known As: 1-(2-Benzoylethyl)pyridinium chloride, 1-(2-Benzoylethyl)pyridinium, 1-phenyl-3-pyridin-1-ium-1-ylpropan-1-one;chloride, 1-(3-Oxo-3-phenylpropyl)pyridin-1-ium chloride, Pyridinium, 1-(3-oxo-3-phenylpropyl)-, chloride
| Molecular Formula | C14H14ClNO |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | -0.7489 |
| Topological Polar Surface Area | 21.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.07639 |
| Heavy Atoms | 17 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 70013-89-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC[N+]2=CC=CC=C2.[Cl-] |
| InChIKey | YTBFUMCKQRTSHQ-UHFFFAOYSA-M |
Product Overview
1-(2-Benzoylethyl)pyridinium (CAS 70013-89-7), with molecular formula C14H14ClNO and molecular weight 247.08 g/mol. IUPAC: 1-phenyl-3-pyridin-1-ium-1-ylpropan-1-one chloride.
Chemical Property Profile of 1-(2-Benzoylethyl)pyridinium
Property Insights of 1-(2-Benzoylethyl)pyridinium
The XLogP value of -0.7489 indicates that 1-(2-Benzoylethyl)pyridinium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.0 Ų, 1-(2-Benzoylethyl)pyridinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Benzoylethyl)pyridinium 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-Benzoylethyl)pyridinium?
The CAS number of 1-(2-Benzoylethyl)pyridinium is 70013-89-7.
What is the molecular formula of 1-(2-Benzoylethyl)pyridinium?
The molecular formula of 1-(2-Benzoylethyl)pyridinium is C14H14ClNO.
What is the molecular weight of 1-(2-Benzoylethyl)pyridinium?
The molecular weight of 1-(2-Benzoylethyl)pyridinium is 247.08 g/mol.
Where can I buy 1-(2-Benzoylethyl)pyridinium?
You can request a quote for 1-(2-Benzoylethyl)pyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Benzoylethyl)pyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Benzoylethyl)pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.