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Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
TL;DR: Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate (CAS 514219-83-1) 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.
methyl 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
Also Known As: methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate, methyl 2-(2-cyanoacetamido)-4-ethyl-5-methylthiophene-3-carboxylate, methyl 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate, Methyl 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methyl-thiophene-3-carboxylate, Methyl 2-(cyanoacetyl)amino-4-ethyl-5-methylthiophene-3-carboxylate
| Molecular Formula | C12H14N2O3S |
|---|---|
| Molecular Weight | 266.07 g/mol |
| LogP | 2.2577 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.0725 |
| Heavy Atoms | 18 |
| Complexity | 514.12756 |
Chemical Identifiers
| CAS Number | 514219-83-1 |
|---|---|
| SMILES | CCC1=C(SC(=C1C(=O)OC)NC(=O)CC#N)C |
Product Overview
Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate (CAS 514219-83-1), with molecular formula C12H14N2O3S and molecular weight 266.07 g/mol. IUPAC: methyl 2-[(2-cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate.
Chemical Property Profile of Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
Property Insights of Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
The XLogP value of 2.2577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate. Following Lipinski's Rule of Five, Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-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 Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The CAS number of Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate is 514219-83-1.
What is the molecular formula of Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular formula of Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate is C12H14N2O3S.
What is the molecular weight of Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
The molecular weight of Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate is 266.07 g/mol.
Where can I buy Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
You can request a quote for Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(cyanoacetyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.