ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate
TL;DR: ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate (CAS 1308991-45-8) is a chemical compound with molecular formula C11H13BrFNO2 and molecular weight 289.01138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate
Also Known As: ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate, Ethyl 3-amino-3-(5-bromo-2-fluoro-phenyl)propanoate
Technical Specifications
| Molecular Formula | C11H13BrFNO2 |
| Molecular Weight | 289.01138 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.01138 Da |
| Heavy Atoms | 16 |
| Complexity | 240.0 |
| SMILES | CCOC(=O)C[C@@H](C1=C(C=CC(=C1)Br)F)N |
| InChIKey | NAXBLKVTPPYSPU-JTQLQIEISA-N |
Chemical Property Profile of ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate
Property Insights of ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate. With a topological polar surface area (TPSA) of 52.3 Ų, ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate?
The CAS number of ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate is 1308991-45-8.
What is the molecular formula of ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate?
The molecular formula of ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate is C11H13BrFNO2.
What is the molecular weight of ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate?
The molecular weight of ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate is 289.01138 g/mol.
Where can I buy ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate?
You can request a quote for ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate?
Yes, CoreyChem provides custom synthesis services for ethyl (3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.