![Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate structure](/static/products/4004/4004-20-0.webp)
Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate
TL;DR: Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate (CAS 4004-20-0) is a chemical compound with molecular formula C12H14N2O4S2 and molecular weight 314.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate
Also Known As: 2-amino-4,5-difluorophenol, diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate, J1.648.820H, 004D200, AE-641/13212151
| Molecular Formula | C12H14N2O4S2 |
|---|---|
| Molecular Weight | 314.04 g/mol |
| LogP | 2.4806 |
| Topological Polar Surface Area | 104.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.0395 |
| Heavy Atoms | 20 |
| Complexity | 621.09204 |
Chemical Identifiers
| CAS Number | 4004-20-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(S1)SC(=C2N)C(=O)OCC)N |
Product Overview
Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate (CAS 4004-20-0), with molecular formula C12H14N2O4S2 and molecular weight 314.04 g/mol. IUPAC: diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate.
Chemical Property Profile of Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate
Property Insights of Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate
The XLogP value of 2.4806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate. The TPSA of 104.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate has 2 hydrogen bond donor(s) and 8 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 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate?
The CAS number of Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate is 4004-20-0.
What is the molecular formula of Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate?
The molecular formula of Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate is C12H14N2O4S2.
What is the molecular weight of Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate?
The molecular weight of Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate is 314.04 g/mol.
Where can I buy Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate?
You can request a quote for Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3,4-diaminothieno[2,3-b]thiophene-2,5-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.