Choline, chloride, trichloroacetate
TL;DR: Choline, chloride, trichloroacetate (CAS 28236-13-7) is a chemical compound with molecular formula C7H13Cl4NO2 and molecular weight 282.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-(2,2,2-trichloroacetyl)oxyethyl]azanium chloride
Also Known As: Trichloroacetylcholine chloride, Choline, chloride, trichloroacetate, choline chloride trichloroacetate, trimethyl-[2-(2,2,2-trichloroacetyl)oxyethyl]azanium chloride, N,N,N-Trimethyl-2-[(trichloroacetyl)oxy]ethan-1-aminium chloride
| Molecular Formula | C7H13Cl4NO2 |
|---|---|
| Molecular Weight | 282.97 g/mol |
| LogP | -1.39 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.97003 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 28236-13-7 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)C(Cl)(Cl)Cl.[Cl-] |
| InChIKey | ZRTYDIFLUCYALP-UHFFFAOYSA-M |
Product Overview
Choline, chloride, trichloroacetate (CAS 28236-13-7), with molecular formula C7H13Cl4NO2 and molecular weight 282.97 g/mol. IUPAC: trimethyl-[2-(2,2,2-trichloroacetyl)oxyethyl]azanium chloride.
Chemical Property Profile of Choline, chloride, trichloroacetate
Property Insights of Choline, chloride, trichloroacetate
The XLogP value of -1.39 indicates that Choline, chloride, trichloroacetate 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, chloride, trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Choline, chloride, trichloroacetate 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 Choline, chloride, trichloroacetate?
The CAS number of Choline, chloride, trichloroacetate is 28236-13-7.
What is the molecular formula of Choline, chloride, trichloroacetate?
The molecular formula of Choline, chloride, trichloroacetate is C7H13Cl4NO2.
What is the molecular weight of Choline, chloride, trichloroacetate?
The molecular weight of Choline, chloride, trichloroacetate is 282.97 g/mol.
Where can I buy Choline, chloride, trichloroacetate?
You can request a quote for Choline, chloride, trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Choline, chloride, trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Choline, chloride, trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.