Methyl 3-bromo-2-fluoropropanoate
TL;DR: Methyl 3-bromo-2-fluoropropanoate (CAS 399-86-0) 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.
methyl 3-bromo-2-fluoropropanoate
Also Known As: methyl 3-bromo-2-fluoropropanoate, methyl 3-bromo-2-fluoropropionate, 3-Brom-2-fluor-propansaeure-methylester, 3-Bromo-2-fluoropropionic Acid Methyl Ester, Propanoic acid, 3-bromo-2-fluoro-, methyl ester
| Molecular Formula | C4H6BrFO2 |
|---|---|
| Molecular Weight | 183.95 g/mol |
| LogP | 0.8924 |
| 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 | 86.1075 |
Chemical Identifiers
| CAS Number | 399-86-0 |
|---|---|
| SMILES | COC(=O)C(CBr)F |
Product Overview
Methyl 3-bromo-2-fluoropropanoate (CAS 399-86-0), with molecular formula C4H6BrFO2 and molecular weight 183.95 g/mol. IUPAC: methyl 3-bromo-2-fluoropropanoate.
Chemical Property Profile of Methyl 3-bromo-2-fluoropropanoate
Property Insights of Methyl 3-bromo-2-fluoropropanoate
The XLogP value of 0.8924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-bromo-2-fluoropropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-bromo-2-fluoropropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-bromo-2-fluoropropanoate 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-fluoropropanoate?
The CAS number of Methyl 3-bromo-2-fluoropropanoate is 399-86-0.
What is the molecular formula of Methyl 3-bromo-2-fluoropropanoate?
The molecular formula of Methyl 3-bromo-2-fluoropropanoate is C4H6BrFO2.
What is the molecular weight of Methyl 3-bromo-2-fluoropropanoate?
The molecular weight of Methyl 3-bromo-2-fluoropropanoate is 183.95 g/mol.
Where can I buy Methyl 3-bromo-2-fluoropropanoate?
You can request a quote for Methyl 3-bromo-2-fluoropropanoate 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-fluoropropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-bromo-2-fluoropropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.