![Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate structure](/static/products/884/88406-76-2.png)
Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate
TL;DR: Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate (CAS 88406-76-2) is a chemical compound with molecular formula C11H12N2O3S2 and molecular weight 284.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-amino-4-cyano-5-methylsulfanylthiophen-2-yl)-3-oxopropanoate
Also Known As: ethyl 3-(3-amino-4-cyano-5-methylsulfanylthiophen-2-yl)-3-ox, Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate, ethyl 3-(3-amino-4-cyano-5-methylsulfanylthiophen-2-yl)-3-oxopropanoate, ETHYL 3-(3-AMINO-4-CYANO-5-METHYLSULFANYL-THIOPHEN-2-YL)-3-OXO-PROPANOATE
| Molecular Formula | C11H12N2O3S2 |
|---|---|
| Molecular Weight | 284.03 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.02893 |
| Heavy Atoms | 18 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 88406-76-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=C(C(=C(S1)SC)C#N)N |
| InChIKey | IJWWDGMABDBYSX-UHFFFAOYSA-N |
Product Overview
Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate (CAS 88406-76-2), with molecular formula C11H12N2O3S2 and molecular weight 284.03 g/mol. IUPAC: ethyl 3-(3-amino-4-cyano-5-methylsulfanylthiophen-2-yl)-3-oxopropanoate.
Chemical Property Profile of Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate
Property Insights of Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate. The TPSA of 147.0 Ų indicates high polarity, suggesting Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate has 1 hydrogen bond donor(s) and 7 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 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate?
The CAS number of Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate is 88406-76-2.
What is the molecular formula of Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate?
The molecular formula of Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate is C11H12N2O3S2.
What is the molecular weight of Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate?
The molecular weight of Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate is 284.03 g/mol.
Where can I buy Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate?
You can request a quote for Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[3-amino-4-cyano-5-(methylsulfanyl)thiophen-2-yl]-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.