Acetic acid, sulfo-, diethyl ester
TL;DR: Acetic acid, sulfo-, diethyl ester (CAS 59376-54-4) is a chemical compound with molecular formula C6H12O5S and molecular weight 196.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-ethoxysulfonylacetate
Also Known As: ethyl 2-ethoxysulfonylacetate, ethyl ((ethyloxy)sulfonyl)acetate, ethyl 2-(ethoxysulfonyl)acetate, Acetic acid, sulfo-, diethyl ester, 2-(Ethoxysulfonyl)acetic acid ethyl ester
| Molecular Formula | C6H12O5S |
|---|---|
| Molecular Weight | 196.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.04054 |
| Heavy Atoms | 12 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 59376-54-4 |
|---|---|
| SMILES | CCOC(=O)CS(=O)(=O)OCC |
| InChIKey | VWKJYZVWQUJSEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetic acid, sulfo-, diethyl ester (CAS 59376-54-4), with molecular formula C6H12O5S and molecular weight 196.04 g/mol. IUPAC: ethyl 2-ethoxysulfonylacetate.
Chemical Property Profile of Acetic acid, sulfo-, diethyl ester
Property Insights of Acetic acid, sulfo-, diethyl ester
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, sulfo-, diethyl ester. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, sulfo-, diethyl ester. Following Lipinski's Rule of Five, Acetic acid, sulfo-, diethyl ester 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 Acetic acid, sulfo-, diethyl ester?
The CAS number of Acetic acid, sulfo-, diethyl ester is 59376-54-4.
What is the molecular formula of Acetic acid, sulfo-, diethyl ester?
The molecular formula of Acetic acid, sulfo-, diethyl ester is C6H12O5S.
What is the molecular weight of Acetic acid, sulfo-, diethyl ester?
The molecular weight of Acetic acid, sulfo-, diethyl ester is 196.04 g/mol.
Where can I buy Acetic acid, sulfo-, diethyl ester?
You can request a quote for Acetic acid, sulfo-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, sulfo-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, sulfo-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.