Dichloroacetate anion
TL;DR: Dichloroacetate anion (CAS 13425-80-4) is a chemical compound with molecular formula C2HCl2O2- and molecular weight 126.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloroacetate
Also Known As: Dichloroacetate, 2,2-dichloroacetate, Dichloracetate, Dichloroacetate ion, Ceresine
| Molecular Formula | C2HCl2O2- |
|---|---|
| Molecular Weight | 126.94 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.935356 |
| Heavy Atoms | 6 |
| Complexity | 55.0 |
Chemical Identifiers
| CAS Number | 13425-80-4 |
|---|---|
| SMILES | C(C(=O)[O-])(Cl)Cl |
| InChIKey | JXTHNDFMNIQAHM-UHFFFAOYSA-M |
Product Overview
Dichloroacetate anion (CAS 13425-80-4), with molecular formula C2HCl2O2- and molecular weight 126.94 g/mol. IUPAC: 2,2-dichloroacetate.
Chemical Property Profile of Dichloroacetate anion
Property Insights of Dichloroacetate anion
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dichloroacetate anion. With a topological polar surface area (TPSA) of 40.1 Ų, Dichloroacetate anion exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dichloroacetate anion 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 Dichloroacetate anion?
The CAS number of Dichloroacetate anion is 13425-80-4.
What is the molecular formula of Dichloroacetate anion?
The molecular formula of Dichloroacetate anion is C2HCl2O2-.
What is the molecular weight of Dichloroacetate anion?
The molecular weight of Dichloroacetate anion is 126.94 g/mol.
Where can I buy Dichloroacetate anion?
You can request a quote for Dichloroacetate anion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dichloroacetate anion?
Yes, KEHONG BIO provides custom synthesis services for Dichloroacetate anion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.