![Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate structure](/static/products/942/942474-76-2.png)
Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate
TL;DR: Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate (CAS 942474-76-2) is a chemical compound with molecular formula C12H14N2O3S and molecular weight 266.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate
Also Known As: ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate, Maybridge3_001140, ethyl 2-(2-cyanoacetamido)-5-ethylthiophene-3-carboxylate, IDI1_012527, ethyl 2-[(2-cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate
| Molecular Formula | C12H14N2O3S |
|---|---|
| Molecular Weight | 266.07 g/mol |
| LogP | 2.33938 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 266.0725 |
| Heavy Atoms | 18 |
| Complexity | 488.00223 |
Chemical Identifiers
| CAS Number | 942474-76-2 |
|---|---|
| SMILES | CCC1=CC(=C(S1)NC(=O)CC#N)C(=O)OCC |
Product Overview
Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate (CAS 942474-76-2), with molecular formula C12H14N2O3S and molecular weight 266.07 g/mol. IUPAC: ethyl 2-[(2-cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate.
Chemical Property Profile of Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate
Property Insights of Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate
The XLogP value of 2.33938 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate?
The CAS number of Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate is 942474-76-2.
What is the molecular formula of Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate?
The molecular formula of Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate is C12H14N2O3S.
What is the molecular weight of Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate?
The molecular weight of Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate is 266.07 g/mol.
Where can I buy Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate?
You can request a quote for Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(cyanoacetyl)amino]-5-ethylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.