Ethyl 3-(benzenesulfonylsulfanyl)propanoate
TL;DR: Ethyl 3-(benzenesulfonylsulfanyl)propanoate (CAS 182677-53-8) is a chemical compound with molecular formula C11H14O4S2 and molecular weight 274.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(benzenesulfonylsulfanyl)propanoate
Also Known As: ethyl 3-(phenylsulfonylthio)propionate, ethyl 3-(benzenesulfonylsulfanyl)propanoate, NCI60_036499, ethyl 3-[(phenylsulfonyl)sulfanyl]propanoate, ethyl 3-[(benzenesulfonyl)sulfanyl]propanoate
| Molecular Formula | C11H14O4S2 |
|---|---|
| Molecular Weight | 274.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 274.03336 |
| Heavy Atoms | 17 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 182677-53-8 |
|---|---|
| SMILES | CCOC(=O)CCSS(=O)(=O)C1=CC=CC=C1 |
| InChIKey | VFJMWEPYGNPHFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-(benzenesulfonylsulfanyl)propanoate (CAS 182677-53-8), with molecular formula C11H14O4S2 and molecular weight 274.03 g/mol. IUPAC: ethyl 3-(benzenesulfonylsulfanyl)propanoate.
Chemical Property Profile of Ethyl 3-(benzenesulfonylsulfanyl)propanoate
Property Insights of Ethyl 3-(benzenesulfonylsulfanyl)propanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(benzenesulfonylsulfanyl)propanoate. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(benzenesulfonylsulfanyl)propanoate. Following Lipinski's Rule of Five, Ethyl 3-(benzenesulfonylsulfanyl)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 3-(benzenesulfonylsulfanyl)propanoate?
The CAS number of Ethyl 3-(benzenesulfonylsulfanyl)propanoate is 182677-53-8.
What is the molecular formula of Ethyl 3-(benzenesulfonylsulfanyl)propanoate?
The molecular formula of Ethyl 3-(benzenesulfonylsulfanyl)propanoate is C11H14O4S2.
What is the molecular weight of Ethyl 3-(benzenesulfonylsulfanyl)propanoate?
The molecular weight of Ethyl 3-(benzenesulfonylsulfanyl)propanoate is 274.03 g/mol.
Where can I buy Ethyl 3-(benzenesulfonylsulfanyl)propanoate?
You can request a quote for Ethyl 3-(benzenesulfonylsulfanyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(benzenesulfonylsulfanyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(benzenesulfonylsulfanyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.