3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate
TL;DR: 3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate (CAS 104680-25-3) is a chemical compound with molecular formula C10H13NO4S and molecular weight 243.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-aminothiophene-3,4-dicarboxylate
Also Known As: diethyl 2-aminothiophene-3,4-dicarboxylate, 3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate, nchembio744-comp27, Diethyl 2-amino-3,4-thiophenedicarboxylate, dimethyl 2-allyl-3-oxopentanedioate
| Molecular Formula | C10H13NO4S |
|---|---|
| Molecular Weight | 243.06 g/mol |
| LogP | 1.6837 |
| Topological Polar Surface Area | 78.62 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.05653 |
| Heavy Atoms | 16 |
| Complexity | 399.52335 |
Chemical Identifiers
| CAS Number | 104680-25-3 |
|---|---|
| SMILES | CCOC(=O)C1=CSC(=C1C(=O)OCC)N |
Product Overview
3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate (CAS 104680-25-3), with molecular formula C10H13NO4S and molecular weight 243.06 g/mol. IUPAC: diethyl 2-aminothiophene-3,4-dicarboxylate.
Chemical Property Profile of 3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate
Property Insights of 3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate
The XLogP value of 1.6837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate. The TPSA of 78.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate. Following Lipinski's Rule of Five, 3,4-Diethyl 2-aminothiophene-3,4-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
Frequently Asked Questions
What is the CAS number of 3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate?
The CAS number of 3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate is 104680-25-3.
What is the molecular formula of 3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate?
The molecular formula of 3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate is C10H13NO4S.
What is the molecular weight of 3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate?
The molecular weight of 3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate is 243.06 g/mol.
Where can I buy 3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate?
You can request a quote for 3,4-Diethyl 2-aminothiophene-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 3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Diethyl 2-aminothiophene-3,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.