![Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate structure](/static/products/1175/117589-34-1.webp)
Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate
TL;DR: Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate (CAS 117589-34-1) is a chemical compound with molecular formula C12H16O5S and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-methylphenyl)sulfonyloxypropanoate
Also Known As: ethyl 2-tosyloxypropionate, (S)-Ethyl 2-(tosyloxy)propanoate, Ethyl 2-(tosyloxy)propanoate, ethyl alpha-tosyloxypropionate, Ethyl L-(-)-O-Tosyl-lactate
| Molecular Formula | C12H16O5S |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.07184 |
| Heavy Atoms | 18 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 117589-34-1 |
|---|---|
| SMILES | CCOC(=O)C(C)OS(=O)(=O)C1=CC=C(C=C1)C |
| InChIKey | SNLMUZGICZJWKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate (CAS 117589-34-1), with molecular formula C12H16O5S and molecular weight 272.07 g/mol. IUPAC: ethyl 2-(4-methylphenyl)sulfonyloxypropanoate.
Chemical Property Profile of Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate
Property Insights of Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate. Following Lipinski's Rule of Five, Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate 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 Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate?
The CAS number of Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate is 117589-34-1.
What is the molecular formula of Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate?
The molecular formula of Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate is C12H16O5S.
What is the molecular weight of Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate?
The molecular weight of Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate is 272.07 g/mol.
Where can I buy Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate?
You can request a quote for Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(4-methylbenzenesulfonyl)oxy]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.