Vinyl dichloroacetate
TL;DR: Vinyl dichloroacetate (CAS 7561-04-8) is a chemical compound with molecular formula C4H4Cl2O2 and molecular weight 153.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethenyl 2,2-dichloroacetate
Also Known As: Vinyl dichloroacetate, vinyldichloroacetate, ethenyl 2,2-dichloroacetate, Ethenyl dichloroacetate, Vinyl dichloro acetate
| Molecular Formula | C4H4Cl2O2 |
|---|---|
| Molecular Weight | 153.96 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 153.95883 |
| Heavy Atoms | 8 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 7561-04-8 |
|---|---|
| SMILES | C=COC(=O)C(Cl)Cl |
| InChIKey | ZBCLTORTGNOIGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vinyl dichloroacetate (CAS 7561-04-8), with molecular formula C4H4Cl2O2 and molecular weight 153.96 g/mol. IUPAC: ethenyl 2,2-dichloroacetate.
Chemical Property Profile of Vinyl dichloroacetate
Property Insights of Vinyl dichloroacetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vinyl dichloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Vinyl dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinyl 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 Vinyl dichloroacetate?
The CAS number of Vinyl dichloroacetate is 7561-04-8.
What is the molecular formula of Vinyl dichloroacetate?
The molecular formula of Vinyl dichloroacetate is C4H4Cl2O2.
What is the molecular weight of Vinyl dichloroacetate?
The molecular weight of Vinyl dichloroacetate is 153.96 g/mol.
Where can I buy Vinyl dichloroacetate?
You can request a quote for Vinyl dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinyl dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Vinyl dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.