1-Phenethyl-2-picolinium bromide
TL;DR: 1-Phenethyl-2-picolinium bromide (CAS 10551-21-0) is a chemical compound with molecular formula C14H16BrN and molecular weight 277.0466 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-1-(2-phenylethyl)pyridin-1-ium bromide
Also Known As: 1-Phenethyl-2-picolinium bromide, Pyridinium, bromide, 2-Picolinium,bromide, 2-Picolinium, bromide, 2-Picolinium, 1-phenethyl-, bromide
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H16BrN |
| Molecular Weight | 277.0466 g/mol |
| XLogP | -0.47 |
| Topological Polar Surface Area (TPSA) | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 277.0466 Da |
| Heavy Atoms | 16 |
| Complexity | 172.0 |
| SMILES | CC1=CC=CC=[N+]1CCC2=CC=CC=C2.[Br-] |
| InChIKey | AYHBRSKXFVQPPX-UHFFFAOYSA-M |
Chemical Property Profile of 1-Phenethyl-2-picolinium bromide
Property Insights of 1-Phenethyl-2-picolinium bromide
The XLogP value of -0.47 indicates that 1-Phenethyl-2-picolinium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 3.9 Ų, 1-Phenethyl-2-picolinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenethyl-2-picolinium bromide 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
What is the CAS number of 1-Phenethyl-2-picolinium bromide?
The CAS number of 1-Phenethyl-2-picolinium bromide is 10551-21-0.
What is the molecular formula of 1-Phenethyl-2-picolinium bromide?
The molecular formula of 1-Phenethyl-2-picolinium bromide is C14H16BrN.
What is the molecular weight of 1-Phenethyl-2-picolinium bromide?
The molecular weight of 1-Phenethyl-2-picolinium bromide is 277.0466 g/mol.
Where can I buy 1-Phenethyl-2-picolinium bromide?
You can request a quote for 1-Phenethyl-2-picolinium bromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Phenethyl-2-picolinium bromide?
Yes, CoreyChem provides custom synthesis services for 1-Phenethyl-2-picolinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.