2,2,2-Trichloroethylacetate
TL;DR: 2,2,2-Trichloroethylacetate (CAS 625-24-1) is a chemical compound with molecular formula C4H5Cl3O2 and molecular weight 189.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl acetate
Also Known As: 2,2,2-Trichloroethyl acetate, Trichloroethyl acetate, trichioroethyl acetate, 2,2,2-TRICHLOROETHYLACETATE, Acetic acid, ester with trichloroethanol
| Molecular Formula | C4H5Cl3O2 |
|---|---|
| Molecular Weight | 189.94 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.93552 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 625-24-1 |
|---|---|
| SMILES | CC(=O)OCC(Cl)(Cl)Cl |
| InChIKey | XHAXVDWUMCHTCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,2-Trichloroethylacetate (CAS 625-24-1), with molecular formula C4H5Cl3O2 and molecular weight 189.94 g/mol. IUPAC: 2,2,2-trichloroethyl acetate.
Chemical Property Profile of 2,2,2-Trichloroethylacetate
Property Insights of 2,2,2-Trichloroethylacetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trichloroethylacetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,2-Trichloroethylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trichloroethylacetate 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 2,2,2-Trichloroethylacetate?
The CAS number of 2,2,2-Trichloroethylacetate is 625-24-1.
What is the molecular formula of 2,2,2-Trichloroethylacetate?
The molecular formula of 2,2,2-Trichloroethylacetate is C4H5Cl3O2.
What is the molecular weight of 2,2,2-Trichloroethylacetate?
The molecular weight of 2,2,2-Trichloroethylacetate is 189.94 g/mol.
Where can I buy 2,2,2-Trichloroethylacetate?
You can request a quote for 2,2,2-Trichloroethylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trichloroethylacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloroethylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.