Ethyl 2-bromo-3-(4-fluorophenyl)propanoate
TL;DR: Ethyl 2-bromo-3-(4-fluorophenyl)propanoate (CAS 448216-77-1) is a chemical compound with molecular formula C11H12BrFO2 and molecular weight 274.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-bromo-3-(4-fluorophenyl)propanoate
Also Known As: Ethyl 2-bromo-3-(4-fluorophenyl)propanoate, Ethyl2-bromo-3-(4-fluorophenyl)propanoate
| Molecular Formula | C11H12BrFO2 |
|---|---|
| Molecular Weight | 274.00 g/mol |
| LogP | 2.6948 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 274.00046 |
| Heavy Atoms | 15 |
| Complexity | 323.86475 |
Chemical Identifiers
| CAS Number | 448216-77-1 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)F)Br |
Product Overview
Ethyl 2-bromo-3-(4-fluorophenyl)propanoate (CAS 448216-77-1), with molecular formula C11H12BrFO2 and molecular weight 274.00 g/mol. IUPAC: ethyl 2-bromo-3-(4-fluorophenyl)propanoate.
Chemical Property Profile of Ethyl 2-bromo-3-(4-fluorophenyl)propanoate
Property Insights of Ethyl 2-bromo-3-(4-fluorophenyl)propanoate
The XLogP value of 2.6948 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-bromo-3-(4-fluorophenyl)propanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-bromo-3-(4-fluorophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-bromo-3-(4-fluorophenyl)propanoate 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 Ethyl 2-bromo-3-(4-fluorophenyl)propanoate?
The CAS number of Ethyl 2-bromo-3-(4-fluorophenyl)propanoate is 448216-77-1.
What is the molecular formula of Ethyl 2-bromo-3-(4-fluorophenyl)propanoate?
The molecular formula of Ethyl 2-bromo-3-(4-fluorophenyl)propanoate is C11H12BrFO2.
What is the molecular weight of Ethyl 2-bromo-3-(4-fluorophenyl)propanoate?
The molecular weight of Ethyl 2-bromo-3-(4-fluorophenyl)propanoate is 274.00 g/mol.
Where can I buy Ethyl 2-bromo-3-(4-fluorophenyl)propanoate?
You can request a quote for Ethyl 2-bromo-3-(4-fluorophenyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-bromo-3-(4-fluorophenyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-bromo-3-(4-fluorophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.