Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate
TL;DR: Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate (CAS 67959-61-9) is a chemical compound with molecular formula C14H24O6S2 and molecular weight 352.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3-bis[(2-ethoxy-2-oxoethyl)sulfanyl]butanoate
Also Known As: EINECS 267-958-1, ethyl3,3-bis[thio]butyrate, ethyl3,3-bis[ thio]butyrate, Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate, ethyl 3,3-bis[(2-ethoxy-2-oxoethyl)sulfanyl]butanoate
| Molecular Formula | C14H24O6S2 |
|---|---|
| Molecular Weight | 352.10 g/mol |
| LogP | 2.2484 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 352.10144 |
| Heavy Atoms | 22 |
| Complexity | 350.34457 |
Chemical Identifiers
| CAS Number | 67959-61-9 |
|---|---|
| SMILES | CCOC(=O)CC(C)(SCC(=O)OCC)SCC(=O)OCC |
Product Overview
Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate (CAS 67959-61-9), with molecular formula C14H24O6S2 and molecular weight 352.10 g/mol. IUPAC: ethyl 3,3-bis[(2-ethoxy-2-oxoethyl)sulfanyl]butanoate.
Chemical Property Profile of Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate
Property Insights of Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate
The XLogP value of 2.2484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate. Following Lipinski's Rule of Five, Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate has 0 hydrogen bond donor(s) and 8 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 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate?
The CAS number of Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate is 67959-61-9.
What is the molecular formula of Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate?
The molecular formula of Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate is C14H24O6S2.
What is the molecular weight of Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate?
The molecular weight of Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate is 352.10 g/mol.
Where can I buy Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate?
You can request a quote for Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3-bis((2-ethoxy-2-oxoethyl)thio)butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.