p-Bromomethylbenzoylcholine iodide
TL;DR: p-Bromomethylbenzoylcholine iodide (CAS 54399-04-1) is a chemical compound with molecular formula C13H19BrINO2 and molecular weight 426.9644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(bromomethyl)benzoyl]oxyethyl-trimethylazanium iodide
Also Known As: p-Bromomethylbenzoylcholine iodide, p-Bromomethylbenzoyl choline iodide, Ethanaminium,N,N-trimethyl-, iodide, (2-Hydroxyethyl)trimethylammonium iodide p-bromomethylbenzoate, 2-[4-(bromomethyl)benzoyl]oxyethyl-trimethylazanium iodide
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H19BrINO2 |
| Molecular Weight | 426.9644 g/mol |
| XLogP | -0.55 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 426.9644 Da |
| Heavy Atoms | 18 |
| Complexity | 242.0 |
| SMILES | C[N+](C)(C)CCOC(=O)C1=CC=C(C=C1)CBr.[I-] |
| InChIKey | ZSHJZRPVBKCWPJ-UHFFFAOYSA-M |
Chemical Property Profile of p-Bromomethylbenzoylcholine iodide
Property Insights of p-Bromomethylbenzoylcholine iodide
The XLogP value of -0.55 indicates that p-Bromomethylbenzoylcholine iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, p-Bromomethylbenzoylcholine iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Bromomethylbenzoylcholine iodide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of p-Bromomethylbenzoylcholine iodide?
The CAS number of p-Bromomethylbenzoylcholine iodide is 54399-04-1.
What is the molecular formula of p-Bromomethylbenzoylcholine iodide?
The molecular formula of p-Bromomethylbenzoylcholine iodide is C13H19BrINO2.
What is the molecular weight of p-Bromomethylbenzoylcholine iodide?
The molecular weight of p-Bromomethylbenzoylcholine iodide is 426.9644 g/mol.
Where can I buy p-Bromomethylbenzoylcholine iodide?
You can request a quote for p-Bromomethylbenzoylcholine iodide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for p-Bromomethylbenzoylcholine iodide?
Yes, CoreyChem provides custom synthesis services for p-Bromomethylbenzoylcholine iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.