3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester
TL;DR: 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester (CAS 1822-66-8) is a chemical compound with molecular formula C10H12O6S and molecular weight 260.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3,4-dihydroxythiophene-2,5-dicarboxylate
Also Known As: Diethyl 3,4-dihydroxythiophene-2,5-dicarboxylate, Dicetol disodium derivative, 3,4-Dihydroxythiophene-2,5-dicarboxylic acid diethyl ester, dicarbethoxy-3.4-dihydroxythiophene, 2,5-dicarbethoxy-3,4-dihydroxythiophene
| Molecular Formula | C10H12O6S |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 260.03546 |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 1822-66-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)C(=O)OCC)O)O |
| InChIKey | YOKOBAHUBJPMGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester (CAS 1822-66-8), with molecular formula C10H12O6S and molecular weight 260.04 g/mol. IUPAC: diethyl 3,4-dihydroxythiophene-2,5-dicarboxylate.
Chemical Property Profile of 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester
Property Insights of 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester
The XLogP value of 3.1 indicates that 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester. Following Lipinski's Rule of Five, 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester has 2 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 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester?
The CAS number of 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester is 1822-66-8.
What is the molecular formula of 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester?
The molecular formula of 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester is C10H12O6S.
What is the molecular weight of 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester?
The molecular weight of 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester is 260.04 g/mol.
Where can I buy 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester?
You can request a quote for 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydroxy-thiophene-2,5-dicarboxylic acid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.