Acetic acid, 2-bromo-2-fluoro-, ethyl ester
TL;DR: Acetic acid, 2-bromo-2-fluoro-, ethyl ester (CAS 331-64-6) 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 2-bromo-2-fluoroacetate
Also Known As: Ethyl bromofluoroacetate, ethyl 2-bromo-2-fluoroacetate, ethylbromofluoroacetate, Bromofluoroacetate, ethyl-2-bromofluoroacetate
| Molecular Formula | C4H6BrFO2 |
|---|---|
| Molecular Weight | 183.95 g/mol |
| LogP | 1.24 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.95352 |
| Heavy Atoms | 8 |
| Complexity | 84.1075 |
Chemical Identifiers
| CAS Number | 331-64-6 |
|---|---|
| SMILES | CCOC(=O)C(F)Br |
Product Overview
Acetic acid, 2-bromo-2-fluoro-, ethyl ester (CAS 331-64-6), with molecular formula C4H6BrFO2 and molecular weight 183.95 g/mol. IUPAC: ethyl 2-bromo-2-fluoroacetate.
Chemical Property Profile of Acetic acid, 2-bromo-2-fluoro-, ethyl ester
Property Insights of Acetic acid, 2-bromo-2-fluoro-, ethyl ester
The XLogP value of 1.24 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, 2-bromo-2-fluoro-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, 2-bromo-2-fluoro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, 2-bromo-2-fluoro-, ethyl ester 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 Acetic acid, 2-bromo-2-fluoro-, ethyl ester?
The CAS number of Acetic acid, 2-bromo-2-fluoro-, ethyl ester is 331-64-6.
What is the molecular formula of Acetic acid, 2-bromo-2-fluoro-, ethyl ester?
The molecular formula of Acetic acid, 2-bromo-2-fluoro-, ethyl ester is C4H6BrFO2.
What is the molecular weight of Acetic acid, 2-bromo-2-fluoro-, ethyl ester?
The molecular weight of Acetic acid, 2-bromo-2-fluoro-, ethyl ester is 183.95 g/mol.
Where can I buy Acetic acid, 2-bromo-2-fluoro-, ethyl ester?
You can request a quote for Acetic acid, 2-bromo-2-fluoro-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-bromo-2-fluoro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-bromo-2-fluoro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.