Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate
TL;DR: Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate (CAS 58168-20-0) is a chemical compound with molecular formula C12H14N2O4S and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate
Also Known As: Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate, Maybridge4_004122, IDI1_032944, Ethyl5-amino-4-cyano-3- thiophene-2-carboxylate, 5-Amino-4-cyano-3-ethoxycarbonylmethyl-thiophene-2
| Molecular Formula | C12H14N2O4S |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 1.48428 |
| Topological Polar Surface Area | 102.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 282.0674 |
| Heavy Atoms | 19 |
| Complexity | 530.5671 |
Chemical Identifiers
| CAS Number | 58168-20-0 |
|---|---|
| SMILES | CCOC(=O)CC1=C(SC(=C1C#N)N)C(=O)OCC |
Product Overview
Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate (CAS 58168-20-0), with molecular formula C12H14N2O4S and molecular weight 282.07 g/mol. IUPAC: ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate.
Chemical Property Profile of Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate
Property Insights of Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate
The XLogP value of 1.48428 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate. The TPSA of 102.41 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate 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 Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate?
The CAS number of Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate is 58168-20-0.
What is the molecular formula of Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate?
The molecular formula of Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate is C12H14N2O4S.
What is the molecular weight of Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate?
The molecular weight of Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate is 282.07 g/mol.
Where can I buy Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate?
You can request a quote for Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.