![Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate structure](/static/products/3142/314282-29-6.webp)
Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate
TL;DR: Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate (CAS 314282-29-6) is a chemical compound with molecular formula C11H9F3N2O3S and molecular weight 306.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-cyano-3-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate
Also Known As: BAS 04336852, ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate, AI-129/31497004, ethyl 4-cyano-3-methyl-5-(2,2,2-trifluoroacetylamino)thiophene-2-carboxylate, ethyl 4-cyano-3-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate
| Molecular Formula | C11H9F3N2O3S |
|---|---|
| Molecular Weight | 306.03 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.0286 |
| Heavy Atoms | 20 |
| Complexity | 446.0 |
Chemical Identifiers
| CAS Number | 314282-29-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)NC(=O)C(F)(F)F)C#N)C |
| InChIKey | SNCOIASUCJGGBI-UHFFFAOYSA-N |
Product Overview
Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate (CAS 314282-29-6), with molecular formula C11H9F3N2O3S and molecular weight 306.03 g/mol. IUPAC: ethyl 4-cyano-3-methyl-5-[(2,2,2-trifluoroacetyl)amino]thiophene-2-carboxylate.
Chemical Property Profile of Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate
Property Insights of Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate
The XLogP value of 3.4 indicates that Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate. Following Lipinski's Rule of Five, Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate has 1 hydrogen bond donor(s) and 8 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 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate?
The CAS number of Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate is 314282-29-6.
What is the molecular formula of Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate?
The molecular formula of Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate is C11H9F3N2O3S.
What is the molecular weight of Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate?
The molecular weight of Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate is 306.03 g/mol.
Where can I buy Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate?
You can request a quote for Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-cyano-3-methyl-5-[(trifluoroacetyl)amino]-2-thiophenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.