Benzoylcholine
TL;DR: Benzoylcholine (CAS 2208-04-0) is a chemical compound with molecular formula C12H18NO2+ and molecular weight 208.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzoyloxyethyl(trimethyl)azanium
Also Known As: BENZOYLCHOLINE, Choline benzoate, Benzoylcholin, O-Benzoylcholine, Benzoylcholine chloride
| Molecular Formula | C12H18NO2+ |
|---|---|
| Molecular Weight | 208.13 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.13376 |
| Heavy Atoms | 15 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 2208-04-0 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)C1=CC=CC=C1 |
| InChIKey | HOPVGFKDVOOCHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoylcholine (CAS 2208-04-0), with molecular formula C12H18NO2+ and molecular weight 208.13 g/mol. IUPAC: 2-benzoyloxyethyl(trimethyl)azanium.
Chemical Property Profile of Benzoylcholine
Property Insights of Benzoylcholine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoylcholine. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoylcholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoylcholine 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 Benzoylcholine?
The CAS number of Benzoylcholine is 2208-04-0.
What is the molecular formula of Benzoylcholine?
The molecular formula of Benzoylcholine is C12H18NO2+.
What is the molecular weight of Benzoylcholine?
The molecular weight of Benzoylcholine is 208.13 g/mol.
Where can I buy Benzoylcholine?
You can request a quote for Benzoylcholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoylcholine?
Yes, KEHONG BIO provides custom synthesis services for Benzoylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.