Tropinoylcholine
TL;DR: Tropinoylcholine (CAS 72862-46-5) is a chemical compound with molecular formula C14H22BrNO3 and molecular weight 331.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2R)-3-hydroxy-2-phenylpropanoyl]oxyethyl-trimethylazanium bromide
Also Known As: Tropinoylcholine, (R)-2-(3-Hydroxy-1-oxo-2-phenylpropoxy)-N,N,N-trimethylethanaminium, bromide, 2-[(2R)-3-hydroxy-2-phenylpropanoyl]oxyethyl-trimethylazanium;bromide, 2-{[(2r)-3-hydroxy-2-phenylpropanoyl]oxy}-n,n,n-trimethylethanaminium bromide, 2-[(2R)-3-hydroxy-2-phenylpropanoyl]oxyethyl-trimethylazanium bromide
| Molecular Formula | C14H22BrNO3 |
|---|---|
| Molecular Weight | 331.08 g/mol |
| LogP | -1.9841 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 331.0783 |
| Heavy Atoms | 19 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 72862-46-5 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)[C@@H](CO)C1=CC=CC=C1.[Br-] |
| InChIKey | SKPCDJCBRSNIAO-ZOWNYOTGSA-M |
Product Overview
Tropinoylcholine (CAS 72862-46-5), with molecular formula C14H22BrNO3 and molecular weight 331.08 g/mol. IUPAC: 2-[(2R)-3-hydroxy-2-phenylpropanoyl]oxyethyl-trimethylazanium bromide.
Chemical Property Profile of Tropinoylcholine
Property Insights of Tropinoylcholine
The XLogP value of -1.9841 indicates that Tropinoylcholine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, Tropinoylcholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tropinoylcholine has 1 hydrogen bond donor(s) and 4 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 Tropinoylcholine?
The CAS number of Tropinoylcholine is 72862-46-5.
What is the molecular formula of Tropinoylcholine?
The molecular formula of Tropinoylcholine is C14H22BrNO3.
What is the molecular weight of Tropinoylcholine?
The molecular weight of Tropinoylcholine is 331.08 g/mol.
Where can I buy Tropinoylcholine?
You can request a quote for Tropinoylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tropinoylcholine?
Yes, KEHONG BIO provides custom synthesis services for Tropinoylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.