Ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate
TL;DR: Ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate (CAS 1081796-84-0) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate
Also Known As: Ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate, ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyprop-2-enoate
Technical Specifications
| Molecular Formula | C14H15NO3 |
| Molecular Weight | 245.1052 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.1052 Da |
| Heavy Atoms | 18 |
| Complexity | 391.0 |
| SMILES | CCOC(=O)/C(=C(/C#N)\C1=C(C=C(C=C1)C)C)/O |
| InChIKey | GNZJUAQMGJFYBK-OUKQBFOZSA-N |
Chemical Property Profile of Ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate
Property Insights of Ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate. Following Lipinski's Rule of Five, Ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate 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 (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate?
The CAS number of Ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate is 1081796-84-0.
What is the molecular formula of Ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate?
The molecular formula of Ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate is C14H15NO3.
What is the molecular weight of Ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate?
The molecular weight of Ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate is 245.1052 g/mol.
Where can I buy Ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate?
You can request a quote for Ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate?
Yes, CoreyChem provides custom synthesis services for Ethyl (Z)-3-cyano-3-(2,4-dimethylphenyl)-2-hydroxyacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.