Vinyl chloroacetate
TL;DR: Vinyl chloroacetate (CAS 2549-51-1) is a chemical compound with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethenyl 2-chloroacetate
Also Known As: Vinyl chloroacetate, ethenyl 2-chloroacetate, vinylchloroacetate, vinyl monochloroacetate, Ethenyl chloroacetate
| Molecular Formula | C4H5ClO2 |
|---|---|
| Molecular Weight | 120.00 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 119.99781 |
| Heavy Atoms | 7 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 2549-51-1 |
|---|---|
| SMILES | C=COC(=O)CCl |
| InChIKey | XJELOQYISYPGDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Vinyl chloroacetate (CAS 2549-51-1), with molecular formula C4H5ClO2 and molecular weight 120.00 g/mol. IUPAC: ethenyl 2-chloroacetate.
Chemical Property Profile of Vinyl chloroacetate
Property Insights of Vinyl chloroacetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Vinyl chloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Vinyl chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Vinyl chloroacetate 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 chloroacetate?
The CAS number of Vinyl chloroacetate is 2549-51-1.
What is the molecular formula of Vinyl chloroacetate?
The molecular formula of Vinyl chloroacetate is C4H5ClO2.
What is the molecular weight of Vinyl chloroacetate?
The molecular weight of Vinyl chloroacetate is 120.00 g/mol.
Where can I buy Vinyl chloroacetate?
You can request a quote for Vinyl chloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Vinyl chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Vinyl chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.