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Diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
TL;DR: Diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate (CAS 392660-27-4) is a chemical compound with molecular formula C14H16N2O5S and molecular weight 324.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-[(2-cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
Also Known As: diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate, 1-(2-Fluoro-4-nitrophenyl)homopiperazine, diethyl 5-[(2-cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate, 2,4-diethyl 5-(2-cyanoacetamido)-3-methylthiophene-2,4-dicarboxylate, Diethyl 5-(2-cyanoacetamido)-3-methylthiophene-2,4-dicarboxylate
| Molecular Formula | C14H16N2O5S |
|---|---|
| Molecular Weight | 324.08 g/mol |
| LogP | 2.2621 |
| Topological Polar Surface Area | 105.49 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 324.078 |
| Heavy Atoms | 22 |
| Complexity | 629.9131 |
Chemical Identifiers
| CAS Number | 392660-27-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CC#N |
Product Overview
Diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate (CAS 392660-27-4), with molecular formula C14H16N2O5S and molecular weight 324.08 g/mol. IUPAC: diethyl 5-[(2-cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate.
Chemical Property Profile of Diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
Property Insights of Diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate
The XLogP value of 2.2621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate. The TPSA of 105.49 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate has 1 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 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The CAS number of Diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate is 392660-27-4.
What is the molecular formula of Diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The molecular formula of Diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate is C14H16N2O5S.
What is the molecular weight of Diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate?
The molecular weight of Diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate is 324.08 g/mol.
Where can I buy Diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate?
You can request a quote for Diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5-[(cyanoacetyl)amino]-3-methylthiophene-2,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.