Choline, bromide, fluoroacetate
TL;DR: Choline, bromide, fluoroacetate (CAS 462-65-7) is a chemical compound with molecular formula C7H15BrFNO2 and molecular weight 243.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-fluoroacetyl)oxyethyl-trimethylazanium bromide
Also Known As: Choline, bromide, fluoroacetate, Bromure de fluoracetylcholine, Bromure de fluoracetylcholine [French], CHOLINE BROMIDE FLUOROACETATE, Ammonium, (fluoroacetoxyethyl)trimethyl-, bromide
| Molecular Formula | C7H15BrFNO2 |
|---|---|
| Molecular Weight | 243.03 g/mol |
| LogP | -2.79 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 243.02702 |
| Heavy Atoms | 12 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 462-65-7 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)CF.[Br-] |
| InChIKey | FUQGENHANRISBP-UHFFFAOYSA-M |
Product Overview
Choline, bromide, fluoroacetate (CAS 462-65-7), with molecular formula C7H15BrFNO2 and molecular weight 243.03 g/mol. IUPAC: 2-(2-fluoroacetyl)oxyethyl-trimethylazanium bromide.
Chemical Property Profile of Choline, bromide, fluoroacetate
Property Insights of Choline, bromide, fluoroacetate
The XLogP value of -2.79 indicates that Choline, bromide, fluoroacetate 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, Choline, bromide, fluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Choline, bromide, fluoroacetate has 0 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 Choline, bromide, fluoroacetate?
The CAS number of Choline, bromide, fluoroacetate is 462-65-7.
What is the molecular formula of Choline, bromide, fluoroacetate?
The molecular formula of Choline, bromide, fluoroacetate is C7H15BrFNO2.
What is the molecular weight of Choline, bromide, fluoroacetate?
The molecular weight of Choline, bromide, fluoroacetate is 243.03 g/mol.
Where can I buy Choline, bromide, fluoroacetate?
You can request a quote for Choline, bromide, fluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Choline, bromide, fluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Choline, bromide, fluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.