ethyl (2E)-2-cyano-3-(2-furyl)but-2-enoate
TL;DR: ethyl (2E)-2-cyano-3-(2-furyl)but-2-enoate (CAS 76142-51-3) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-(furan-2-yl)but-2-enoate
Also Known As: ethyl (2E)-2-cyano-3-(2-furyl)but-2-enoate, ethyl (E)-2-cyano-3-(furan-2-yl)but-2-enoate, Ethyl 2-cyano-3-(2-furyl)but-2-enoate, ethyl 2-cyano-3-(furan-2-yl)but-2-enoate, ethyl (2E)-2-cyano-3-(furan-2-yl)but-2-enoate
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 2.13978 |
| Topological Polar Surface Area | 63.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 409.54147 |
Chemical Identifiers
| CAS Number | 76142-51-3 |
|---|---|
| SMILES | CCOC(=O)/C(=C(\C)/C1=CC=CO1)/C#N |
Product Overview
ethyl (2E)-2-cyano-3-(2-furyl)but-2-enoate (CAS 76142-51-3), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: ethyl (E)-2-cyano-3-(furan-2-yl)but-2-enoate.
Chemical Property Profile of ethyl (2E)-2-cyano-3-(2-furyl)but-2-enoate
Property Insights of ethyl (2E)-2-cyano-3-(2-furyl)but-2-enoate
The XLogP value of 2.13978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-2-cyano-3-(2-furyl)but-2-enoate. The TPSA of 63.23 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-2-cyano-3-(2-furyl)but-2-enoate. Following Lipinski's Rule of Five, ethyl (2E)-2-cyano-3-(2-furyl)but-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 (2E)-2-cyano-3-(2-furyl)but-2-enoate?
The CAS number of ethyl (2E)-2-cyano-3-(2-furyl)but-2-enoate is 76142-51-3.
What is the molecular formula of ethyl (2E)-2-cyano-3-(2-furyl)but-2-enoate?
The molecular formula of ethyl (2E)-2-cyano-3-(2-furyl)but-2-enoate is C11H11NO3.
What is the molecular weight of ethyl (2E)-2-cyano-3-(2-furyl)but-2-enoate?
The molecular weight of ethyl (2E)-2-cyano-3-(2-furyl)but-2-enoate is 205.07 g/mol.
Where can I buy ethyl (2E)-2-cyano-3-(2-furyl)but-2-enoate?
You can request a quote for ethyl (2E)-2-cyano-3-(2-furyl)but-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 (2E)-2-cyano-3-(2-furyl)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-2-cyano-3-(2-furyl)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.