Phenyl dichloroacetate
TL;DR: Phenyl dichloroacetate (CAS 84662-50-0) is a chemical compound with molecular formula C8H6Cl2O2 and molecular weight 203.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 2,2-dichloroacetate
Also Known As: Phenyl dichloroacetate, phenyl 2,2-dichloroacetate, Phenyl dichloroacetate #, Dichloroacetic acid, phenyl ester, Dichloroacetic acid phenyl ester
| Molecular Formula | C8H6Cl2O2 |
|---|---|
| Molecular Weight | 203.97 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 203.97449 |
| Heavy Atoms | 12 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 84662-50-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC(=O)C(Cl)Cl |
| InChIKey | FALZSEYHTLDSIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenyl dichloroacetate (CAS 84662-50-0), with molecular formula C8H6Cl2O2 and molecular weight 203.97 g/mol. IUPAC: phenyl 2,2-dichloroacetate.
Chemical Property Profile of Phenyl dichloroacetate
Property Insights of Phenyl dichloroacetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenyl dichloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Phenyl dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 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 Phenyl dichloroacetate?
The CAS number of Phenyl dichloroacetate is 84662-50-0.
What is the molecular formula of Phenyl dichloroacetate?
The molecular formula of Phenyl dichloroacetate is C8H6Cl2O2.
What is the molecular weight of Phenyl dichloroacetate?
The molecular weight of Phenyl dichloroacetate is 203.97 g/mol.
Where can I buy Phenyl dichloroacetate?
You can request a quote for Phenyl dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.