Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
TL;DR: Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate (CAS 132464-93-8) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: UV Absorber 8080, ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate, ETHYL VANILLYLIDENECYANOACETATE, ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate, Ethyl alpha-cyano-4-hydroxy-3-methoxycinnamate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H13NO4 |
| Molecular Weight | 247.08446 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 79.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.08446 Da |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
| SMILES | CCOC(=O)/C(=C/C1=CC(=C(C=C1)O)OC)/C#N |
| InChIKey | WQWLESVDQFOXPT-UXBLZVDNSA-N |
Chemical Property Profile of Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
Property Insights of Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate. Following Lipinski's Rule of Five, Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate has 1 hydrogen bond donor(s) and 5 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 (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate?
The CAS number of Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate is 132464-93-8.
What is the molecular formula of Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate?
The molecular formula of Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate is C13H13NO4.
What is the molecular weight of Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate?
The molecular weight of Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate is 247.08446 g/mol.
Where can I buy Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate?
You can request a quote for Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate?
Yes, CoreyChem provides custom synthesis services for Ethyl (2E)-2-cyano-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.