Ethyl 2-bromo-2-phenylpropanoate
TL;DR: Ethyl 2-bromo-2-phenylpropanoate (CAS 111914-79-5) is a chemical compound with molecular formula C11H13BrO2 and molecular weight 256.0099 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-bromo-2-phenylpropanoate
Also Known As: ethyl 2-bromo-2-phenylpropanoate, ethyl 2-bromo-2-phenylpropionate, Ethyl-2-bromo-2-phenylpropanoate, ethyl 2-bromo-2-phenyl-propionate, 2-bromo-2-phenylpropionic acid ethyl ester
Technical Specifications
| Molecular Formula | C11H13BrO2 |
| Molecular Weight | 256.0099 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.0099 Da |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
| SMILES | CCOC(=O)C(C)(C1=CC=CC=C1)Br |
| InChIKey | OXUBOOPFXQOMBI-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-bromo-2-phenylpropanoate
Property Insights of Ethyl 2-bromo-2-phenylpropanoate
The XLogP value of 3.2 indicates that Ethyl 2-bromo-2-phenylpropanoate 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 2-bromo-2-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-bromo-2-phenylpropanoate 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 2-bromo-2-phenylpropanoate?
The CAS number of Ethyl 2-bromo-2-phenylpropanoate is 111914-79-5.
What is the molecular formula of Ethyl 2-bromo-2-phenylpropanoate?
The molecular formula of Ethyl 2-bromo-2-phenylpropanoate is C11H13BrO2.
What is the molecular weight of Ethyl 2-bromo-2-phenylpropanoate?
The molecular weight of Ethyl 2-bromo-2-phenylpropanoate is 256.0099 g/mol.
Where can I buy Ethyl 2-bromo-2-phenylpropanoate?
You can request a quote for Ethyl 2-bromo-2-phenylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-bromo-2-phenylpropanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-bromo-2-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.