Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
TL;DR: Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate (CAS 102-37-4) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07356 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Ethyl caffeate, Ethyl 3-(3,4-dihydroxyphenyl)acrylate, Ethyl 3,4-dihydroxycinnamate, (E)-Ethyl Dihydroxycinnamate, ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H12O4 |
| Molecular Weight | 208.07356 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.07356 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | CCOC(=O)C=CC1=CC(=C(C=C1)O)O |
| InChIKey | WDKYDMULARNCIS-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Property Insights of Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate has 2 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-(3,4-dihydroxyphenyl)prop-2-enoate?
The CAS number of Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate is 102-37-4.
What is the molecular formula of Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate?
The molecular formula of Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate is C11H12O4.
What is the molecular weight of Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate?
The molecular weight of Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate is 208.07356 g/mol.
Where can I buy Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate?
You can request a quote for Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.