Ethyl 2,2-dibromo-2-fluoroacetate
TL;DR: Ethyl 2,2-dibromo-2-fluoroacetate (CAS 56456-52-1) is a chemical compound with molecular formula C4H5Br2FO2 and molecular weight 261.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-dibromo-2-fluoroacetate
Also Known As: Ethyl Dibromofluoroacetate, ethyl 2,2-dibromo-2-fluoroacetate, Dibromofluoroacetic Acid Ethyl Ester, Ethyl dibromo(fluoro)acetate, ETHYLDIBROMOFLUOROACETATE
| Molecular Formula | C4H5Br2FO2 |
|---|---|
| Molecular Weight | 261.86 g/mol |
| LogP | 1.9626 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 261.86404 |
| Heavy Atoms | 9 |
| Complexity | 109.62549 |
Chemical Identifiers
| CAS Number | 56456-52-1 |
|---|---|
| SMILES | CCOC(=O)C(F)(Br)Br |
Product Overview
Ethyl 2,2-dibromo-2-fluoroacetate (CAS 56456-52-1), with molecular formula C4H5Br2FO2 and molecular weight 261.86 g/mol. IUPAC: ethyl 2,2-dibromo-2-fluoroacetate.
Chemical Property Profile of Ethyl 2,2-dibromo-2-fluoroacetate
Property Insights of Ethyl 2,2-dibromo-2-fluoroacetate
The XLogP value of 1.9626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,2-dibromo-2-fluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2,2-dibromo-2-fluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2-dibromo-2-fluoroacetate 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 2,2-dibromo-2-fluoroacetate?
The CAS number of Ethyl 2,2-dibromo-2-fluoroacetate is 56456-52-1.
What is the molecular formula of Ethyl 2,2-dibromo-2-fluoroacetate?
The molecular formula of Ethyl 2,2-dibromo-2-fluoroacetate is C4H5Br2FO2.
What is the molecular weight of Ethyl 2,2-dibromo-2-fluoroacetate?
The molecular weight of Ethyl 2,2-dibromo-2-fluoroacetate is 261.86 g/mol.
Where can I buy Ethyl 2,2-dibromo-2-fluoroacetate?
You can request a quote for Ethyl 2,2-dibromo-2-fluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2-dibromo-2-fluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2-dibromo-2-fluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.