Benzoylcholine chloride
TL;DR: Benzoylcholine chloride (CAS 2964-09-2) is a chemical compound with molecular formula C12H18ClNO2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyloxyethyl(trimethyl)azanium chloride
Also Known As: Benzoylcholine chloride, benzoyl choline chloride, Choline, chloride, benzoate, Tetraethylammonium iodide, O-Benzoylcholine chloride
| Molecular Formula | C12H18ClNO2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | -1.45 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.1026 |
| Heavy Atoms | 16 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 2964-09-2 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)C1=CC=CC=C1.[Cl-] |
| InChIKey | QVFHQENRNSAHEK-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoylcholine chloride (CAS 2964-09-2), with molecular formula C12H18ClNO2 and molecular weight 243.10 g/mol. IUPAC: 2-benzoyloxyethyl(trimethyl)azanium chloride.
Chemical Property Profile of Benzoylcholine chloride
Property Insights of Benzoylcholine chloride
The XLogP value of -1.45 indicates that Benzoylcholine chloride 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, Benzoylcholine chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoylcholine chloride 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
Frequently Asked Questions
What is the CAS number of Benzoylcholine chloride?
The CAS number of Benzoylcholine chloride is 2964-09-2.
What is the molecular formula of Benzoylcholine chloride?
The molecular formula of Benzoylcholine chloride is C12H18ClNO2.
What is the molecular weight of Benzoylcholine chloride?
The molecular weight of Benzoylcholine chloride is 243.10 g/mol.
Where can I buy Benzoylcholine chloride?
You can request a quote for Benzoylcholine chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoylcholine chloride?
Yes, KEHONG BIO provides custom synthesis services for Benzoylcholine chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.