Diethyl 3-hydroxythiophene-2,5-dicarboxylate
TL;DR: Diethyl 3-hydroxythiophene-2,5-dicarboxylate (CAS 99187-10-7) is a chemical compound with molecular formula C10H12O5S and molecular weight 244.04054 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 3-hydroxythiophene-2,5-dicarboxylate
Also Known As: diethyl 3-hydroxythiophene-2,5-dicarboxylate, 2,5-diethyl 3-hydroxythiophene-2,5-dicarboxylate, DIETHYL3-HYDROXYTHIOPHENE-2,5-DICARBOXYLATE, 3-Hydroxy-thiophen-2,5-dicarbonsaeure-diaethylester, 3-hydroxy-thiophene-2,5-dicarboxylic acid diethyl ester
Technical Specifications
| Molecular Formula | C10H12O5S |
| Molecular Weight | 244.04054 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 244.04054 Da |
| Heavy Atoms | 16 |
| Complexity | 268.0 |
| SMILES | CCOC(=O)C1=CC(=C(S1)C(=O)OCC)O |
| InChIKey | BUIQVHHDUSDGEW-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 3-hydroxythiophene-2,5-dicarboxylate
Property Insights of Diethyl 3-hydroxythiophene-2,5-dicarboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3-hydroxythiophene-2,5-dicarboxylate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3-hydroxythiophene-2,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 3-hydroxythiophene-2,5-dicarboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Diethyl 3-hydroxythiophene-2,5-dicarboxylate?
The CAS number of Diethyl 3-hydroxythiophene-2,5-dicarboxylate is 99187-10-7.
What is the molecular formula of Diethyl 3-hydroxythiophene-2,5-dicarboxylate?
The molecular formula of Diethyl 3-hydroxythiophene-2,5-dicarboxylate is C10H12O5S.
What is the molecular weight of Diethyl 3-hydroxythiophene-2,5-dicarboxylate?
The molecular weight of Diethyl 3-hydroxythiophene-2,5-dicarboxylate is 244.04054 g/mol.
Where can I buy Diethyl 3-hydroxythiophene-2,5-dicarboxylate?
You can request a quote for Diethyl 3-hydroxythiophene-2,5-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 3-hydroxythiophene-2,5-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for Diethyl 3-hydroxythiophene-2,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.