Ethyl 2-cyano-3-ethoxy-2-butenoate
TL;DR: Ethyl 2-cyano-3-ethoxy-2-butenoate (CAS 932750-29-3) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-cyano-3-ethoxybut-2-enoate
Also Known As: ethyl 2-cyano-3-ethoxybut-2-enoate, USAF KF-6, ETHYL (E)-2-CYANO-3-ETHOXYCROTONATE, ethyl 2-cyano-3-ethoxy-2-butenoate, Ethyl ethoxyethylidene cyanoacetate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H13NO3 |
| Molecular Weight | 183.08954 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 183.08954 Da |
| Heavy Atoms | 13 |
| Complexity | 259.0 |
| SMILES | CCOC(=C(C#N)C(=O)OCC)C |
| InChIKey | YKXFOGAYPIPTKF-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-cyano-3-ethoxy-2-butenoate
Property Insights of Ethyl 2-cyano-3-ethoxy-2-butenoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-ethoxy-2-butenoate. With a topological polar surface area (TPSA) of 59.3 Ų, Ethyl 2-cyano-3-ethoxy-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-ethoxy-2-butenoate 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
What is the CAS number of Ethyl 2-cyano-3-ethoxy-2-butenoate?
The CAS number of Ethyl 2-cyano-3-ethoxy-2-butenoate is 932750-29-3.
What is the molecular formula of Ethyl 2-cyano-3-ethoxy-2-butenoate?
The molecular formula of Ethyl 2-cyano-3-ethoxy-2-butenoate is C9H13NO3.
What is the molecular weight of Ethyl 2-cyano-3-ethoxy-2-butenoate?
The molecular weight of Ethyl 2-cyano-3-ethoxy-2-butenoate is 183.08954 g/mol.
Where can I buy Ethyl 2-cyano-3-ethoxy-2-butenoate?
You can request a quote for Ethyl 2-cyano-3-ethoxy-2-butenoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-cyano-3-ethoxy-2-butenoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-cyano-3-ethoxy-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.