TL;DR: Diethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate (CAS 154934-13-1) is a chemical compound with molecular formula C12H14O6S and molecular weight 286.05112 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate
Also Known As: starbld0016695, Diethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate, 2,5-dicarbethoxy-3,4-ethylenedioxythiophene, J1.833.438K, Diethyl 2,3-dihydrothieno[3,4-b]-1,4-dioxine-5,7-dicarboxylate
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C12H14O6S |
| Molecular Weight | 286.05112 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 99.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 286.05112 Da |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
| SMILES | CCOC(=O)C1=C2C(=C(S1)C(=O)OCC)OCCO2 |
| InChIKey | BLYQDJZMMFOERZ-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate. The TPSA of 99.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Diethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate is 154934-13-1.
The molecular formula of Diethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate is C12H14O6S.
The molecular weight of Diethyl 2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-dicarboxylate is 286.05112 g/mol.
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