Ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate
TL;DR: Ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate (CAS 369654-33-1) is a chemical compound with molecular formula C14H12N2O2S and molecular weight 272.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate
Also Known As: ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate, 5-Amino-4-cyano-3-phenylthiophene-2-carboxylic acid ethyl ester, Ethyl 5-amino-4-cyano-3-phenyl-thiophene-2-carboxylate, 5-Amino-4-cyano-3-phenylthiophene-2-carboxylicacidethylester, 2-Thiophenecarboxylic acid, 5-amino-4-cyano-3-phenyl-, ethyl ester
| Molecular Formula | C14H12N2O2S |
|---|---|
| Molecular Weight | 272.06 g/mol |
| LogP | 3.04568 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.06195 |
| Heavy Atoms | 19 |
| Complexity | 641.4559 |
Chemical Identifiers
| CAS Number | 369654-33-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(S1)N)C#N)C2=CC=CC=C2 |
Product Overview
Ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate (CAS 369654-33-1), with molecular formula C14H12N2O2S and molecular weight 272.06 g/mol. IUPAC: ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate
Property Insights of Ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate
The XLogP value of 3.04568 indicates that Ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-4-cyano-3-phenylthiophene-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-amino-4-cyano-3-phenylthiophene-2-carboxylate?
The CAS number of Ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate is 369654-33-1.
What is the molecular formula of Ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate?
The molecular formula of Ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate is C14H12N2O2S.
What is the molecular weight of Ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate?
The molecular weight of Ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate is 272.06 g/mol.
Where can I buy Ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate?
You can request a quote for Ethyl 5-amino-4-cyano-3-phenylthiophene-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-phenylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-4-cyano-3-phenylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.