ethyl (2S)-2-bromo-2-fluoroacetate
TL;DR: ethyl (2S)-2-bromo-2-fluoroacetate (CAS 401-55-8) is a chemical compound with molecular formula C4H6BrFO2 and molecular weight 183.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2S)-2-bromo-2-fluoroacetate
Also Known As: Ethyl bromofluoroacetate, bromofluoroacetic acid, ethyl ester, ethyl (2S)-2-bromo-2-fluoroacetate
| Molecular Formula | C4H6BrFO2 |
|---|---|
| Molecular Weight | 183.95 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.95352 |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
Chemical Identifiers
| CAS Number | 401-55-8 |
|---|---|
| SMILES | CCOC(=O)[C@@H](F)Br |
| InChIKey | ULNDTPIRBQGESN-GSVOUGTGSA-N |
Product Overview
ethyl (2S)-2-bromo-2-fluoroacetate (CAS 401-55-8), with molecular formula C4H6BrFO2 and molecular weight 183.95 g/mol. IUPAC: ethyl (2S)-2-bromo-2-fluoroacetate.
Chemical Property Profile of ethyl (2S)-2-bromo-2-fluoroacetate
Property Insights of ethyl (2S)-2-bromo-2-fluoroacetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2S)-2-bromo-2-fluoroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, ethyl (2S)-2-bromo-2-fluoroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2S)-2-bromo-2-fluoroacetate has 0 hydrogen bond donor(s) and 3 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 (2S)-2-bromo-2-fluoroacetate?
The CAS number of ethyl (2S)-2-bromo-2-fluoroacetate is 401-55-8.
What is the molecular formula of ethyl (2S)-2-bromo-2-fluoroacetate?
The molecular formula of ethyl (2S)-2-bromo-2-fluoroacetate is C4H6BrFO2.
What is the molecular weight of ethyl (2S)-2-bromo-2-fluoroacetate?
The molecular weight of ethyl (2S)-2-bromo-2-fluoroacetate is 183.95 g/mol.
Where can I buy ethyl (2S)-2-bromo-2-fluoroacetate?
You can request a quote for ethyl (2S)-2-bromo-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 (2S)-2-bromo-2-fluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2S)-2-bromo-2-fluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.