Ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate
TL;DR: Ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate (CAS 201733-74-6) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate
Also Known As: ethyl 2-cyano-3-(thiophen-2-yl)but-2-enoate, ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate, Ethyl 2-cyano-3-thiophen-2-yl-but-2-enoate, ethyl (2E)-2-cyano-3-thien-2-ylbut-2-enoate
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.60828 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 412.29636 |
Chemical Identifiers
| CAS Number | 201733-74-6 |
|---|---|
| SMILES | CCOC(=O)C(=C(C)C1=CC=CS1)C#N |
Product Overview
Ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate (CAS 201733-74-6), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate
Property Insights of Ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate
The XLogP value of 2.60828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate 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-thiophen-2-ylbut-2-enoate?
The CAS number of Ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate is 201733-74-6.
What is the molecular formula of Ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate?
The molecular formula of Ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate is C11H11NO2S.
What is the molecular weight of Ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate?
The molecular weight of Ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate is 221.05 g/mol.
Where can I buy Ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate?
You can request a quote for Ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate 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-thiophen-2-ylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-thiophen-2-ylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.