Ethyl methanesulfonylacetate
TL;DR: Ethyl methanesulfonylacetate (CAS 4455-15-6) is a chemical compound with molecular formula C5H10O4S and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methylsulfonylacetate
Also Known As: Ethyl methanesulfonylacetate, Ethyl methylsulfonylacetate, ethyl 2-(methylsulfonyl)acetate, Ethyl (methylsulphonyl)acetate, ethyl methanesulphonylacetate
| Molecular Formula | C5H10O4S |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 166.02998 |
| Heavy Atoms | 10 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 4455-15-6 |
|---|---|
| SMILES | CCOC(=O)CS(=O)(=O)C |
| InChIKey | OCCWQCYBCZADCE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl methanesulfonylacetate (CAS 4455-15-6), with molecular formula C5H10O4S and molecular weight 166.03 g/mol. IUPAC: ethyl 2-methylsulfonylacetate.
Chemical Property Profile of Ethyl methanesulfonylacetate
Property Insights of Ethyl methanesulfonylacetate
The XLogP value of -0.1 indicates that Ethyl methanesulfonylacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl methanesulfonylacetate. Following Lipinski's Rule of Five, Ethyl methanesulfonylacetate has 0 hydrogen bond donor(s) and 4 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 Ethyl methanesulfonylacetate?
The CAS number of Ethyl methanesulfonylacetate is 4455-15-6.
What is the molecular formula of Ethyl methanesulfonylacetate?
The molecular formula of Ethyl methanesulfonylacetate is C5H10O4S.
What is the molecular weight of Ethyl methanesulfonylacetate?
The molecular weight of Ethyl methanesulfonylacetate is 166.03 g/mol.
Where can I buy Ethyl methanesulfonylacetate?
You can request a quote for Ethyl methanesulfonylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl methanesulfonylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl methanesulfonylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.