Dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate
TL;DR: Dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate (CAS 127854-46-0) is a chemical compound with molecular formula C6H8O8S and molecular weight 239.99399 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate
Also Known As: cis-4,5, dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate, Dimethyl (4R,5R)-1,3,2-dioxathiolane-4,5-dicarboxylate 2,2-dioxide, Dimethyl 1,3,2-dioxathiolane-4,5-dicarboxylate 2,2-dioxide, Dimethyl 2,2-dioxo-1,3,2lambda~6~-dioxathiolane-4,5-dicarboxylate
Technical Specifications
| Molecular Formula | C6H8O8S |
| Molecular Weight | 239.99399 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.99399 Da |
| Heavy Atoms | 15 |
| Complexity | 335.0 |
| SMILES | COC(=O)C1C(OS(=O)(=O)O1)C(=O)OC |
| InChIKey | YZPCWPMIVKWDOZ-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate
Property Insights of Dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate
The XLogP value of -0.6 indicates that Dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate 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
What is the CAS number of Dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate?
The CAS number of Dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate is 127854-46-0.
What is the molecular formula of Dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate?
The molecular formula of Dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate is C6H8O8S.
What is the molecular weight of Dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate?
The molecular weight of Dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate is 239.99399 g/mol.
Where can I buy Dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate?
You can request a quote for Dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for Dimethyl 2,2-dioxo-1,3,2-dioxathiolane-4,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.