(E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid
TL;DR: (E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid (CAS 141426-09-7) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid
Also Known As: 2-Cyano-3-(2-ethoxyphenyl)propenoic acid, (E)-2-cyano-3-(2-ethoxyphenyl)acrylic acid, (E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic Acid, J3.658.067D, 2-Cyano-3-(2-ethoxyphenyl)prop-2-enoic acid
Technical Specifications
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.0739 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 70.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.0739 Da |
| Heavy Atoms | 16 |
| Complexity | 326.0 |
| SMILES | CCOC1=CC=CC=C1/C=C(\C#N)/C(=O)O |
| InChIKey | YVBSNUUUWLTBDH-JXMROGBWSA-N |
Chemical Property Profile of (E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid
Property Insights of (E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid. Following Lipinski's Rule of Five, (E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid 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 (E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid?
The CAS number of (E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid is 141426-09-7.
What is the molecular formula of (E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid?
The molecular formula of (E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid is C12H11NO3.
What is the molecular weight of (E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid?
The molecular weight of (E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid is 217.0739 g/mol.
Where can I buy (E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid?
You can request a quote for (E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for (E)-2-cyano-3-(2-ethoxyphenyl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.