Ethofumesate
TL;DR: Ethofumesate (CAS 26225-79-6) is a chemical compound with molecular formula C13H18O5S and molecular weight 286.0875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-ethoxy-3,3-dimethyl-2H-1-benzofuran-5-yl) methanesulfonate
Also Known As: ETHOFUMESATE, Progress, Tramat, Nortron (new), Nortran
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H18O5S |
| Molecular Weight | 286.0875 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.0875 Da |
| Heavy Atoms | 19 |
| Complexity | 411.0 |
| Melting Point | 70-72 °C |
| Density | 1.29 at 20 °C |
| Flash Point | Non-combustibile |
| Vapor Pressure | 0.0000049 [mmHg] |
| Solubility | >600 mg/L in acetone, dichloromethane, dimethyl sulfoxide, ethyl acetate; 300-600 g/L in toluene and p-xylene; 120-150 g/L in methanol; 60-76 g/L in ethanol; 25-30 g/L in isopropanol; 4.67 g/L in hexane |
| SMILES | CCOC1C(C2=C(O1)C=CC(=C2)OS(=O)(=O)C)(C)C |
| InChIKey | IRCMYGHHKLLGHV-UHFFFAOYSA-N |
Chemical Property Profile of Ethofumesate
Property Insights of Ethofumesate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethofumesate. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethofumesate. Following Lipinski's Rule of Five, Ethofumesate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethofumesate?
The CAS number of Ethofumesate is 26225-79-6.
What is the molecular formula of Ethofumesate?
The molecular formula of Ethofumesate is C13H18O5S.
What is the molecular weight of Ethofumesate?
The molecular weight of Ethofumesate is 286.0875 g/mol.
Where can I buy Ethofumesate?
You can request a quote for Ethofumesate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethofumesate?
Yes, CoreyChem provides custom synthesis services for Ethofumesate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.