Diethyl 2,5-diaminothiophene-3,4-dicarboxylate
TL;DR: Diethyl 2,5-diaminothiophene-3,4-dicarboxylate (CAS 80691-81-2) is a chemical compound with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2,5-diaminothiophene-3,4-dicarboxylate
Also Known As: diethyl 2,5-diaminothiophene-3,4-dicarboxylate, 2,5-DIAMINOTHIOPHENE-3,4-DICARBOXYLIC ACID DIETHYL ESTER, 2,5-Diamino-thiophene-3,4-dicarboxylic Acid Diethylester, 3,4-diethyl 2,5-diaminothiophene-3,4-dicarboxylate, 2,5-diamino-thiophene-3,4-dicarboxylic acid diethyl ester
| Molecular Formula | C10H14N2O4S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 1.2659 |
| Topological Polar Surface Area | 104.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.0674 |
| Heavy Atoms | 17 |
| Complexity | 403.25946 |
Chemical Identifiers
| CAS Number | 80691-81-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C(=O)OCC)N)N |
Product Overview
Diethyl 2,5-diaminothiophene-3,4-dicarboxylate (CAS 80691-81-2), with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol. IUPAC: diethyl 2,5-diaminothiophene-3,4-dicarboxylate.
Chemical Property Profile of Diethyl 2,5-diaminothiophene-3,4-dicarboxylate
Property Insights of Diethyl 2,5-diaminothiophene-3,4-dicarboxylate
The XLogP value of 1.2659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2,5-diaminothiophene-3,4-dicarboxylate. The TPSA of 104.64 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2,5-diaminothiophene-3,4-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 2,5-diaminothiophene-3,4-dicarboxylate 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 Diethyl 2,5-diaminothiophene-3,4-dicarboxylate?
The CAS number of Diethyl 2,5-diaminothiophene-3,4-dicarboxylate is 80691-81-2.
What is the molecular formula of Diethyl 2,5-diaminothiophene-3,4-dicarboxylate?
The molecular formula of Diethyl 2,5-diaminothiophene-3,4-dicarboxylate is C10H14N2O4S.
What is the molecular weight of Diethyl 2,5-diaminothiophene-3,4-dicarboxylate?
The molecular weight of Diethyl 2,5-diaminothiophene-3,4-dicarboxylate is 258.07 g/mol.
Where can I buy Diethyl 2,5-diaminothiophene-3,4-dicarboxylate?
You can request a quote for Diethyl 2,5-diaminothiophene-3,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,5-diaminothiophene-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,5-diaminothiophene-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.