Ethyl dichloroacetate
TL;DR: Ethyl dichloroacetate (CAS 535-15-9) is a chemical compound with molecular formula C4H6Cl2O2 and molecular weight 155.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-dichloroacetate
Also Known As: ETHYL DICHLOROACETATE, Ethyl 2,2-dichloroacetate, null, Ethyldichloroacetate, Ethyl dichloroethanoate
| Molecular Formula | C4H6Cl2O2 |
|---|---|
| Molecular Weight | 155.97 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.97449 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 535-15-9 |
|---|---|
| SMILES | CCOC(=O)C(Cl)Cl |
| InChIKey | IWYBVQLPTCMVFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl dichloroacetate (CAS 535-15-9), with molecular formula C4H6Cl2O2 and molecular weight 155.97 g/mol. IUPAC: ethyl 2,2-dichloroacetate.
Chemical Property Profile of Ethyl dichloroacetate
Property Insights of Ethyl dichloroacetate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl dichloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 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 Ethyl dichloroacetate?
The CAS number of Ethyl dichloroacetate is 535-15-9.
What is the molecular formula of Ethyl dichloroacetate?
The molecular formula of Ethyl dichloroacetate is C4H6Cl2O2.
What is the molecular weight of Ethyl dichloroacetate?
The molecular weight of Ethyl dichloroacetate is 155.97 g/mol.
Where can I buy Ethyl dichloroacetate?
You can request a quote for Ethyl dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.