Ethyl 5-amino-4-cyano-3-propylthiophene-2-carboxylate
TL;DR: Ethyl 5-amino-4-cyano-3-propylthiophene-2-carboxylate (CAS 61320-66-9) is a chemical compound with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-4-cyano-3-propylthiophene-2-carboxylate
Also Known As: ethyl 5-amino-4-cyano-3-propylthiophene-2-carboxylate, ethyl 5-amino-4-cyano-3-propyl-2-thiophenecarboxylate, 2-Thiophenecarboxylic acid, 5-amino-4-cyano-3-propyl-, ethyl ester, A4015/0171233
| Molecular Formula | C11H14N2O2S |
|---|---|
| Molecular Weight | 238.08 g/mol |
| LogP | 2.33118 |
| Topological Polar Surface Area | 76.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.0776 |
| Heavy Atoms | 16 |
| Complexity | 431.92834 |
Chemical Identifiers
| CAS Number | 61320-66-9 |
|---|---|
| SMILES | CCCC1=C(SC(=C1C#N)N)C(=O)OCC |
Product Overview
Ethyl 5-amino-4-cyano-3-propylthiophene-2-carboxylate (CAS 61320-66-9), with molecular formula C11H14N2O2S and molecular weight 238.08 g/mol. IUPAC: ethyl 5-amino-4-cyano-3-propylthiophene-2-carboxylate.
Chemical Property Profile of Ethyl 5-amino-4-cyano-3-propylthiophene-2-carboxylate
Property Insights of Ethyl 5-amino-4-cyano-3-propylthiophene-2-carboxylate
The XLogP value of 2.33118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-amino-4-cyano-3-propylthiophene-2-carboxylate. The TPSA of 76.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-amino-4-cyano-3-propylthiophene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-amino-4-cyano-3-propylthiophene-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-propylthiophene-2-carboxylate?
The CAS number of Ethyl 5-amino-4-cyano-3-propylthiophene-2-carboxylate is 61320-66-9.
What is the molecular formula of Ethyl 5-amino-4-cyano-3-propylthiophene-2-carboxylate?
The molecular formula of Ethyl 5-amino-4-cyano-3-propylthiophene-2-carboxylate is C11H14N2O2S.
What is the molecular weight of Ethyl 5-amino-4-cyano-3-propylthiophene-2-carboxylate?
The molecular weight of Ethyl 5-amino-4-cyano-3-propylthiophene-2-carboxylate is 238.08 g/mol.
Where can I buy Ethyl 5-amino-4-cyano-3-propylthiophene-2-carboxylate?
You can request a quote for Ethyl 5-amino-4-cyano-3-propylthiophene-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-propylthiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-amino-4-cyano-3-propylthiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.