Sodium Dichloroacetate
TL;DR: Sodium Dichloroacetate (CAS 2156-56-1) is a chemical compound with molecular formula C2HCl2NaO2 and molecular weight 149.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2,2-dichloroacetate
Also Known As: Sodium dichloroacetate, sodium 2,2-dichloroacetate, Ceresine, Dichloroacetic acid sodium salt, Dca sodium
| Molecular Formula | C2HCl2NaO2 |
|---|---|
| Molecular Weight | 149.93 g/mol |
| LogP | -3.456 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.92513 |
| Heavy Atoms | 7 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 2156-56-1 |
|---|---|
| SMILES | C(C(=O)[O-])(Cl)Cl.[Na+] |
| InChIKey | LUPNKHXLFSSUGS-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium Dichloroacetate (CAS 2156-56-1), with molecular formula C2HCl2NaO2 and molecular weight 149.93 g/mol. IUPAC: sodium 2,2-dichloroacetate.
Chemical Property Profile of Sodium Dichloroacetate
Property Insights of Sodium Dichloroacetate
The XLogP value of -3.456 indicates that Sodium Dichloroacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.1 Ų, Sodium Dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sodium Dichloroacetate 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 Sodium Dichloroacetate?
The CAS number of Sodium Dichloroacetate is 2156-56-1.
What is the molecular formula of Sodium Dichloroacetate?
The molecular formula of Sodium Dichloroacetate is C2HCl2NaO2.
What is the molecular weight of Sodium Dichloroacetate?
The molecular weight of Sodium Dichloroacetate is 149.93 g/mol.
Where can I buy Sodium Dichloroacetate?
You can request a quote for Sodium Dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium Dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Sodium Dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.