Methyl 3-bromo-2-fluoro-2-methylpropanoate
TL;DR: Methyl 3-bromo-2-fluoro-2-methylpropanoate (CAS 4161-54-0) is a chemical compound with molecular formula C5H8BrFO2 and molecular weight 197.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-bromo-2-fluoro-2-methylpropanoate
Also Known As: methyl 3-bromo-2-fluoro-2-methylpropanoate, methyl beta-bromo-alpha-fluoroisobutyrate, methyl3-bromo-2-fluoro-2-methylpropanoate, Methyl 3-bromo-2-fluoro-2-methyl-propanoate, 826-547-2
| Molecular Formula | C5H8BrFO2 |
|---|---|
| Molecular Weight | 197.97 g/mol |
| LogP | 1.2825 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 197.96918 |
| Heavy Atoms | 9 |
| Complexity | 113.52562 |
Chemical Identifiers
| CAS Number | 4161-54-0 |
|---|---|
| SMILES | CC(CBr)(C(=O)OC)F |
Product Overview
Methyl 3-bromo-2-fluoro-2-methylpropanoate (CAS 4161-54-0), with molecular formula C5H8BrFO2 and molecular weight 197.97 g/mol. IUPAC: methyl 3-bromo-2-fluoro-2-methylpropanoate.
Chemical Property Profile of Methyl 3-bromo-2-fluoro-2-methylpropanoate
Property Insights of Methyl 3-bromo-2-fluoro-2-methylpropanoate
The XLogP value of 1.2825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-bromo-2-fluoro-2-methylpropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-bromo-2-fluoro-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-bromo-2-fluoro-2-methylpropanoate 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 Methyl 3-bromo-2-fluoro-2-methylpropanoate?
The CAS number of Methyl 3-bromo-2-fluoro-2-methylpropanoate is 4161-54-0.
What is the molecular formula of Methyl 3-bromo-2-fluoro-2-methylpropanoate?
The molecular formula of Methyl 3-bromo-2-fluoro-2-methylpropanoate is C5H8BrFO2.
What is the molecular weight of Methyl 3-bromo-2-fluoro-2-methylpropanoate?
The molecular weight of Methyl 3-bromo-2-fluoro-2-methylpropanoate is 197.97 g/mol.
Where can I buy Methyl 3-bromo-2-fluoro-2-methylpropanoate?
You can request a quote for Methyl 3-bromo-2-fluoro-2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-bromo-2-fluoro-2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-bromo-2-fluoro-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.