Calcium trichloroacetate
TL;DR: Calcium trichloroacetate (CAS 21348-16-3) is a chemical compound with molecular formula C4CaCl6O4 and molecular weight 361.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2,2,2-trichloroacetate)
Also Known As: TCA-calcium, Calcium trichloroacetate, Gelbar, TCA-calcium [ISO], calciumtrichloroacetate
| Molecular Formula | C4CaCl6O4 |
|---|---|
| Molecular Weight | 361.76 g/mol |
| LogP | -0.17 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 363.7524 |
| Heavy Atoms | 15 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 21348-16-3 |
|---|---|
| SMILES | C(=O)(C(Cl)(Cl)Cl)[O-].C(=O)(C(Cl)(Cl)Cl)[O-].[Ca+2] |
| InChIKey | PAFYVDNYOJAWDX-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium trichloroacetate (CAS 21348-16-3), with molecular formula C4CaCl6O4 and molecular weight 361.76 g/mol. IUPAC: calcium bis(2,2,2-trichloroacetate).
Chemical Property Profile of Calcium trichloroacetate
Property Insights of Calcium trichloroacetate
The XLogP value of -0.17 indicates that Calcium trichloroacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium trichloroacetate. Following Lipinski's Rule of Five, Calcium trichloroacetate 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 Calcium trichloroacetate?
The CAS number of Calcium trichloroacetate is 21348-16-3.
What is the molecular formula of Calcium trichloroacetate?
The molecular formula of Calcium trichloroacetate is C4CaCl6O4.
What is the molecular weight of Calcium trichloroacetate?
The molecular weight of Calcium trichloroacetate is 361.76 g/mol.
Where can I buy Calcium trichloroacetate?
You can request a quote for Calcium trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Calcium trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.