Ethyl 3-bromo-3-phenylpropanoate
TL;DR: Ethyl 3-bromo-3-phenylpropanoate (CAS 100036-03-1) 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 3-bromo-3-phenylpropanoate
Also Known As: ethyl 3-bromo-3-phenylpropanoate, NCIOpen2_002812, ETHYL 3-BROMO-3-PHENYL-PROPANOATE, (S)-3-Brom-3-phenyl-propionsaeure-aethylester, (S)-3-bromo-3-phenyl-propionic acid ethyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H13BrO2 |
| Molecular Weight | 256.0099 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.0099 Da |
| Heavy Atoms | 14 |
| Complexity | 176.0 |
| SMILES | CCOC(=O)CC(C1=CC=CC=C1)Br |
| InChIKey | UJSACSSBHKEXIH-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3-bromo-3-phenylpropanoate
Property Insights of Ethyl 3-bromo-3-phenylpropanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-bromo-3-phenylpropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-bromo-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-bromo-3-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 3-bromo-3-phenylpropanoate?
The CAS number of Ethyl 3-bromo-3-phenylpropanoate is 100036-03-1.
What is the molecular formula of Ethyl 3-bromo-3-phenylpropanoate?
The molecular formula of Ethyl 3-bromo-3-phenylpropanoate is C11H13BrO2.
What is the molecular weight of Ethyl 3-bromo-3-phenylpropanoate?
The molecular weight of Ethyl 3-bromo-3-phenylpropanoate is 256.0099 g/mol.
Where can I buy Ethyl 3-bromo-3-phenylpropanoate?
You can request a quote for Ethyl 3-bromo-3-phenylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3-bromo-3-phenylpropanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3-bromo-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.