Ethyl 2-cyano-3-ethoxyacrylate
TL;DR: Ethyl 2-cyano-3-ethoxyacrylate (CAS 34-45-7) is a chemical compound with molecular formula C8H11NO3 and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-ethoxyprop-2-enoate
Also Known As: Ethyl (ethoxymethylene)cyanoacetate, (E)-ethyl 2-cyano-3-ethoxyacrylate, Ethyl 2-cyano-3-ethoxyacrylate, Ethyl 3-ethoxy-2-cyanoacrylate, Ethyl cyano(ethoxymethylene)acetate
| Molecular Formula | C8H11NO3 |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 0.99348 |
| Topological Polar Surface Area | 59.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 169.0739 |
| Heavy Atoms | 12 |
| Complexity | 214.83308 |
Chemical Identifiers
| CAS Number | 34-45-7 |
|---|---|
| SMILES | CCO/C=C(\C#N)/C(=O)OCC |
Product Overview
Ethyl 2-cyano-3-ethoxyacrylate (CAS 34-45-7), with molecular formula C8H11NO3 and molecular weight 169.07 g/mol. IUPAC: ethyl (E)-2-cyano-3-ethoxyprop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-ethoxyacrylate
Property Insights of Ethyl 2-cyano-3-ethoxyacrylate
The XLogP value of 0.99348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-ethoxyacrylate. With a topological polar surface area (TPSA) of 59.32 Ų, Ethyl 2-cyano-3-ethoxyacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-ethoxyacrylate 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-ethoxyacrylate?
The CAS number of Ethyl 2-cyano-3-ethoxyacrylate is 34-45-7.
What is the molecular formula of Ethyl 2-cyano-3-ethoxyacrylate?
The molecular formula of Ethyl 2-cyano-3-ethoxyacrylate is C8H11NO3.
What is the molecular weight of Ethyl 2-cyano-3-ethoxyacrylate?
The molecular weight of Ethyl 2-cyano-3-ethoxyacrylate is 169.07 g/mol.
Where can I buy Ethyl 2-cyano-3-ethoxyacrylate?
You can request a quote for Ethyl 2-cyano-3-ethoxyacrylate 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-ethoxyacrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-ethoxyacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.