Ethofumesate-2-keto
TL;DR: Ethofumesate-2-keto (CAS 26244-33-7) is a chemical compound with molecular formula C11H12O5S and molecular weight 256.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,3-dimethyl-2-oxo-1-benzofuran-5-yl) methanesulfonate
Also Known As: Ethofumesate-2-keto, 2-Keto ethofumesate, ethofumesate metabolite, ethofumesate 2-keto (NC 9607), (3,3-dimethyl-2-oxo-1-benzofuran-5-yl) methanesulfonate
| Molecular Formula | C11H12O5S |
|---|---|
| Molecular Weight | 256.04 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 256.04056 |
| Heavy Atoms | 17 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 26244-33-7 |
|---|---|
| SMILES | CC1(C2=C(C=CC(=C2)OS(=O)(=O)C)OC1=O)C |
| InChIKey | CXWYCAYNZXSHTF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethofumesate-2-keto (CAS 26244-33-7), with molecular formula C11H12O5S and molecular weight 256.04 g/mol. IUPAC: (3,3-dimethyl-2-oxo-1-benzofuran-5-yl) methanesulfonate.
Chemical Property Profile of Ethofumesate-2-keto
Property Insights of Ethofumesate-2-keto
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethofumesate-2-keto. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethofumesate-2-keto. Following Lipinski's Rule of Five, Ethofumesate-2-keto 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
Frequently Asked Questions
What is the CAS number of Ethofumesate-2-keto?
The CAS number of Ethofumesate-2-keto is 26244-33-7.
What is the molecular formula of Ethofumesate-2-keto?
The molecular formula of Ethofumesate-2-keto is C11H12O5S.
What is the molecular weight of Ethofumesate-2-keto?
The molecular weight of Ethofumesate-2-keto is 256.04 g/mol.
Where can I buy Ethofumesate-2-keto?
You can request a quote for Ethofumesate-2-keto directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethofumesate-2-keto?
Yes, KEHONG BIO provides custom synthesis services for Ethofumesate-2-keto and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.