Diethyl 2,2'-sulfanediylbis(3-oxobutanoate)
TL;DR: Diethyl 2,2'-sulfanediylbis(3-oxobutanoate) (CAS 51270-71-4) is a chemical compound with molecular formula C12H18O6S and molecular weight 290.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-ethoxy-1,3-dioxobutan-2-yl)sulfanyl-3-oxobutanoate
Also Known As: diethyl 2,2'-sulfanediylbis(3-oxobutanoate), 2,2'-Sulfandiyl-bis-acetessigsaeure-diaethylester, ethyl 2-(1-ethoxy-1,3-dioxobutan-2-yl)sulfanyl-3-oxobutanoate, ETHYL 2-(1-ETHOXYCARBONYL-2-OXO-PROPYL)SULFANYL-3-OXO-BUTANOATE, RefChem:337757
| Molecular Formula | C12H18O6S |
|---|---|
| Molecular Weight | 290.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 290.0824 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 51270-71-4 |
|---|---|
| SMILES | CCOC(=O)C(C(=O)C)SC(C(=O)C)C(=O)OCC |
| InChIKey | QKTXNWYEAHBDIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2,2'-sulfanediylbis(3-oxobutanoate) (CAS 51270-71-4), with molecular formula C12H18O6S and molecular weight 290.08 g/mol. IUPAC: ethyl 2-(1-ethoxy-1,3-dioxobutan-2-yl)sulfanyl-3-oxobutanoate.
Chemical Property Profile of Diethyl 2,2'-sulfanediylbis(3-oxobutanoate)
Property Insights of Diethyl 2,2'-sulfanediylbis(3-oxobutanoate)
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,2'-sulfanediylbis(3-oxobutanoate). The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,2'-sulfanediylbis(3-oxobutanoate). Following Lipinski's Rule of Five, Diethyl 2,2'-sulfanediylbis(3-oxobutanoate) has 0 hydrogen bond donor(s) and 7 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 Diethyl 2,2'-sulfanediylbis(3-oxobutanoate)?
The CAS number of Diethyl 2,2'-sulfanediylbis(3-oxobutanoate) is 51270-71-4.
What is the molecular formula of Diethyl 2,2'-sulfanediylbis(3-oxobutanoate)?
The molecular formula of Diethyl 2,2'-sulfanediylbis(3-oxobutanoate) is C12H18O6S.
What is the molecular weight of Diethyl 2,2'-sulfanediylbis(3-oxobutanoate)?
The molecular weight of Diethyl 2,2'-sulfanediylbis(3-oxobutanoate) is 290.08 g/mol.
Where can I buy Diethyl 2,2'-sulfanediylbis(3-oxobutanoate)?
You can request a quote for Diethyl 2,2'-sulfanediylbis(3-oxobutanoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2'-sulfanediylbis(3-oxobutanoate)?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2'-sulfanediylbis(3-oxobutanoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.