Ethyl trans-4-Bromocinnamate
TL;DR: Ethyl trans-4-Bromocinnamate (CAS 15795-20-7) is a chemical compound with molecular formula C11H11BrO2 and molecular weight 253.99425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (E)-3-(4-bromophenyl)prop-2-enoate
Also Known As: Ethyl trans-4-bromocinnamate, Ethyl 3-(4-bromophenyl)acrylate, (E)-Ethyl 3-(4-bromophenyl)acrylate, ethyl p-bromocinnamate, Ethyl trans-4-bromociamate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H11BrO2 |
| Molecular Weight | 253.99425 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 253.99425 Da |
| Heavy Atoms | 14 |
| Complexity | 205.0 |
| SMILES | CCOC(=O)/C=C/C1=CC=C(C=C1)Br |
| InChIKey | YOOKYIPLSLPRTC-VMPITWQZSA-N |
Chemical Property Profile of Ethyl trans-4-Bromocinnamate
Property Insights of Ethyl trans-4-Bromocinnamate
The XLogP value of 3.7 indicates that Ethyl trans-4-Bromocinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl trans-4-Bromocinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl trans-4-Bromocinnamate has 0 hydrogen bond donor(s) and 2 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 trans-4-Bromocinnamate?
The CAS number of Ethyl trans-4-Bromocinnamate is 15795-20-7.
What is the molecular formula of Ethyl trans-4-Bromocinnamate?
The molecular formula of Ethyl trans-4-Bromocinnamate is C11H11BrO2.
What is the molecular weight of Ethyl trans-4-Bromocinnamate?
The molecular weight of Ethyl trans-4-Bromocinnamate is 253.99425 g/mol.
Where can I buy Ethyl trans-4-Bromocinnamate?
You can request a quote for Ethyl trans-4-Bromocinnamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl trans-4-Bromocinnamate?
Yes, CoreyChem provides custom synthesis services for Ethyl trans-4-Bromocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.