Ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate
TL;DR: Ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate (CAS 585557-93-3) is a chemical compound with molecular formula C17H17NO2S and molecular weight 299.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-phenyl-3-thiophen-2-ylbutanoate
Also Known As: ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate, ethyl 2-cyano-3-phenyl-3-thiophen-2-ylbutanoate
| Molecular Formula | C17H17NO2S |
|---|---|
| Molecular Weight | 299.10 g/mol |
| LogP | 3.75698 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.098 |
| Heavy Atoms | 21 |
| Complexity | 630.56464 |
Chemical Identifiers
| CAS Number | 585557-93-3 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C(C)(C1=CC=CC=C1)C2=CC=CS2 |
Product Overview
Ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate (CAS 585557-93-3), with molecular formula C17H17NO2S and molecular weight 299.10 g/mol. IUPAC: ethyl 2-cyano-3-phenyl-3-thiophen-2-ylbutanoate.
Chemical Property Profile of Ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate
Property Insights of Ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate
The XLogP value of 3.75698 indicates that Ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate has 0 hydrogen bond donor(s) and 4 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 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate?
The CAS number of Ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate is 585557-93-3.
What is the molecular formula of Ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate?
The molecular formula of Ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate is C17H17NO2S.
What is the molecular weight of Ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate?
The molecular weight of Ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate is 299.10 g/mol.
Where can I buy Ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate?
You can request a quote for Ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-phenyl-3-(thiophen-2-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.