Diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate
TL;DR: Diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate (CAS 17235-98-2) is a chemical compound with molecular formula C11H16O6S and molecular weight 276.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate
Also Known As: diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate, 1,3-diethyl 2-(1,1-dioxo-2,3-dihydro-1lambda6-thiophen-3-yl)propanedioate, 1,3-diethyl 2-(1,1-dioxo-2,3-dihydro-1, AE-848/33210010, Propanedioic acid, (2,3-dihydro-1,1-dioxido-3-thienyl)-, diethyl ester
| Molecular Formula | C11H16O6S |
|---|---|
| Molecular Weight | 276.07 g/mol |
| LogP | 0.2871 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.06677 |
| Heavy Atoms | 18 |
| Complexity | 432.1539 |
Chemical Identifiers
| CAS Number | 17235-98-2 |
|---|---|
| SMILES | CCOC(=O)C(C1CS(=O)(=O)C=C1)C(=O)OCC |
Product Overview
Diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate (CAS 17235-98-2), with molecular formula C11H16O6S and molecular weight 276.07 g/mol. IUPAC: diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate.
Chemical Property Profile of Diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate
Property Insights of Diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate
The XLogP value of 0.2871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate. Following Lipinski's Rule of Five, Diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate has 0 hydrogen bond donor(s) and 6 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-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate?
The CAS number of Diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate is 17235-98-2.
What is the molecular formula of Diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate?
The molecular formula of Diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate is C11H16O6S.
What is the molecular weight of Diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate?
The molecular weight of Diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate is 276.07 g/mol.
Where can I buy Diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate?
You can request a quote for Diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.