2-Methoxyethyl trichloroacetate
TL;DR: 2-Methoxyethyl trichloroacetate (CAS 40248-23-5) is a chemical compound with molecular formula C5H7Cl3O3 and molecular weight 219.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 2,2,2-trichloroacetate
Also Known As: 2-methoxyethyl trichloroacetate, 2-methoxyethyl 2,2,2-trichloroacetate, 2-methoxyethyl2,2,2-trichloroacetate, Trichloroacetic acid, 2-methoxyethyl ester, trichloro-acetic acid 2-methoxy-ethyl ester
| Molecular Formula | C5H7Cl3O3 |
|---|---|
| Molecular Weight | 219.95 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.94608 |
| Heavy Atoms | 11 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 40248-23-5 |
|---|---|
| SMILES | COCCOC(=O)C(Cl)(Cl)Cl |
| InChIKey | YWZKSIQICPCCBW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methoxyethyl trichloroacetate (CAS 40248-23-5), with molecular formula C5H7Cl3O3 and molecular weight 219.95 g/mol. IUPAC: 2-methoxyethyl 2,2,2-trichloroacetate.
Chemical Property Profile of 2-Methoxyethyl trichloroacetate
Property Insights of 2-Methoxyethyl trichloroacetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxyethyl trichloroacetate. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Methoxyethyl trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxyethyl trichloroacetate has 0 hydrogen bond donor(s) and 3 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-Methoxyethyl trichloroacetate?
The CAS number of 2-Methoxyethyl trichloroacetate is 40248-23-5.
What is the molecular formula of 2-Methoxyethyl trichloroacetate?
The molecular formula of 2-Methoxyethyl trichloroacetate is C5H7Cl3O3.
What is the molecular weight of 2-Methoxyethyl trichloroacetate?
The molecular weight of 2-Methoxyethyl trichloroacetate is 219.95 g/mol.
Where can I buy 2-Methoxyethyl trichloroacetate?
You can request a quote for 2-Methoxyethyl trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxyethyl trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyethyl trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.