2-Bromo-3-fluoropropionic acid methyl ester
TL;DR: 2-Bromo-3-fluoropropionic acid methyl ester (CAS 1537-52-6) is a chemical compound with molecular formula C4H6BrFO2 and molecular weight 183.95352 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-bromo-3-fluoropropanoate
Also Known As: methyl 2-bromo-3-fluoropropanoate, 2-BROMO-3-FLUOROPROPIONIC ACID METHYL ESTER, methyl 2-bromo-3-fluoro-propanoate, methyl 2-bromo-3-fluoropropionate, 4787AD
Technical Specifications
| Molecular Formula | C4H6BrFO2 |
| Molecular Weight | 183.95352 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.95352 Da |
| Heavy Atoms | 8 |
| Complexity | 86.0 |
| SMILES | COC(=O)C(CF)Br |
| InChIKey | BXTYDNLOFHBZFS-UHFFFAOYSA-N |
Chemical Property Profile of 2-Bromo-3-fluoropropionic acid methyl ester
Property Insights of 2-Bromo-3-fluoropropionic acid methyl ester
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromo-3-fluoropropionic acid methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Bromo-3-fluoropropionic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromo-3-fluoropropionic acid methyl ester 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
What is the CAS number of 2-Bromo-3-fluoropropionic acid methyl ester?
The CAS number of 2-Bromo-3-fluoropropionic acid methyl ester is 1537-52-6.
What is the molecular formula of 2-Bromo-3-fluoropropionic acid methyl ester?
The molecular formula of 2-Bromo-3-fluoropropionic acid methyl ester is C4H6BrFO2.
What is the molecular weight of 2-Bromo-3-fluoropropionic acid methyl ester?
The molecular weight of 2-Bromo-3-fluoropropionic acid methyl ester is 183.95352 g/mol.
Where can I buy 2-Bromo-3-fluoropropionic acid methyl ester?
You can request a quote for 2-Bromo-3-fluoropropionic acid methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Bromo-3-fluoropropionic acid methyl ester?
Yes, CoreyChem provides custom synthesis services for 2-Bromo-3-fluoropropionic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.