Ethyl 2,3-dibromo-3-phenylpropanoate
TL;DR: Ethyl 2,3-dibromo-3-phenylpropanoate (CAS 63224-32-8) is a chemical compound with molecular formula C11H12Br2O2 and molecular weight 333.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,3-dibromo-3-phenylpropanoate
Also Known As: Ethyl 2,3-dibromo-3-phenylpropanoate, Ethyl 2,3-Dibromo-3-phenylpropionate, ethyl dibromocinnamate, ethyl 2,3-dibromo-3-phenyl-propanoate, Ethyl 2,3-dibromo-3-phenylpropanoate #
| Molecular Formula | C11H12Br2O2 |
|---|---|
| Molecular Weight | 333.92 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 333.9204 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 63224-32-8 |
|---|---|
| SMILES | CCOC(=O)C(C(C1=CC=CC=C1)Br)Br |
| InChIKey | CCYOCUPSKJUNMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,3-dibromo-3-phenylpropanoate (CAS 63224-32-8), with molecular formula C11H12Br2O2 and molecular weight 333.92 g/mol. IUPAC: ethyl 2,3-dibromo-3-phenylpropanoate.
Chemical Property Profile of Ethyl 2,3-dibromo-3-phenylpropanoate
Property Insights of Ethyl 2,3-dibromo-3-phenylpropanoate
The XLogP value of 3.6 indicates that Ethyl 2,3-dibromo-3-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 2,3-dibromo-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,3-dibromo-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
Frequently Asked Questions
What is the CAS number of Ethyl 2,3-dibromo-3-phenylpropanoate?
The CAS number of Ethyl 2,3-dibromo-3-phenylpropanoate is 63224-32-8.
What is the molecular formula of Ethyl 2,3-dibromo-3-phenylpropanoate?
The molecular formula of Ethyl 2,3-dibromo-3-phenylpropanoate is C11H12Br2O2.
What is the molecular weight of Ethyl 2,3-dibromo-3-phenylpropanoate?
The molecular weight of Ethyl 2,3-dibromo-3-phenylpropanoate is 333.92 g/mol.
Where can I buy Ethyl 2,3-dibromo-3-phenylpropanoate?
You can request a quote for Ethyl 2,3-dibromo-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,3-dibromo-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,3-dibromo-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.