Ethyl 3-ethoxy-3-hydroxyprop-2-enoate
TL;DR: Ethyl 3-ethoxy-3-hydroxyprop-2-enoate (CAS 142470-27-7) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-ethoxy-3-hydroxyprop-2-enoate
Also Known As: Diethyl malonate enolate, ethyl 3-ethoxy-3-hydroxyprop-2-enoate, Ethyl 3-ethoxy-3-hydroxy-prop-2-enoate
Technical Specifications
| Molecular Formula | C7H12O4 |
| Molecular Weight | 160.07356 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 160.07356 Da |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
| SMILES | CCOC(=CC(=O)OCC)O |
| InChIKey | OCLNNZJKXPZQIR-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-ethoxy-3-hydroxyprop-2-enoate
Property Insights of Ethyl 3-ethoxy-3-hydroxyprop-2-enoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-ethoxy-3-hydroxyprop-2-enoate. With a topological polar surface area (TPSA) of 55.8 Ų, Ethyl 3-ethoxy-3-hydroxyprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-ethoxy-3-hydroxyprop-2-enoate has 1 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 3-ethoxy-3-hydroxyprop-2-enoate?
The CAS number of Ethyl 3-ethoxy-3-hydroxyprop-2-enoate is 142470-27-7.
What is the molecular formula of Ethyl 3-ethoxy-3-hydroxyprop-2-enoate?
The molecular formula of Ethyl 3-ethoxy-3-hydroxyprop-2-enoate is C7H12O4.
What is the molecular weight of Ethyl 3-ethoxy-3-hydroxyprop-2-enoate?
The molecular weight of Ethyl 3-ethoxy-3-hydroxyprop-2-enoate is 160.07356 g/mol.
Where can I buy Ethyl 3-ethoxy-3-hydroxyprop-2-enoate?
You can request a quote for Ethyl 3-ethoxy-3-hydroxyprop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-ethoxy-3-hydroxyprop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-ethoxy-3-hydroxyprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.