Ethyl 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-carboxylate
TL;DR: Ethyl 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-carboxylate (CAS 449177-08-6) is a chemical compound with molecular formula C11H11ClN2O3S and molecular weight 286.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[(2-chloroacetyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
Also Known As: ethyl 5-[(chloroacetyl)amino]-4-cyano-3-methylthiophene-2-carboxylate, ethyl 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-carboxylate, 7-hydroxy-4'-methylisoflavone, 5-(2-Chloro-acetylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid ethyl ester, ethyl 5-[(2-chloroacetyl)amino]-4-cyano-3-methylthiophene-2-carboxylate
| Molecular Formula | C11H11ClN2O3S |
|---|---|
| Molecular Weight | 286.02 g/mol |
| LogP | 2.2822 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.01788 |
| Heavy Atoms | 18 |
| Complexity | 519.0934 |
Chemical Identifiers
| CAS Number | 449177-08-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)CCl)C#N)C |
Product Overview
Ethyl 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-carboxylate (CAS 449177-08-6), with molecular formula C11H11ClN2O3S and molecular weight 286.02 g/mol. IUPAC: ethyl 5-[(2-chloroacetyl)amino]-4-cyano-3-methylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-carboxylate
Property Insights of Ethyl 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-carboxylate
The XLogP value of 2.2822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-carboxylate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-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 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-carboxylate?
The CAS number of Ethyl 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-carboxylate is 449177-08-6.
What is the molecular formula of Ethyl 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-carboxylate?
The molecular formula of Ethyl 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-carboxylate is C11H11ClN2O3S.
What is the molecular weight of Ethyl 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-carboxylate?
The molecular weight of Ethyl 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-carboxylate is 286.02 g/mol.
Where can I buy Ethyl 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-carboxylate?
You can request a quote for Ethyl 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-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-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-(2-chloroacetamido)-4-cyano-3-methylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.