Benzyl 3-bromo-2-oxopropanoate
TL;DR: Benzyl 3-bromo-2-oxopropanoate (CAS 147765-51-3) is a chemical compound with molecular formula C10H9BrO3 and molecular weight 255.97351 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 3-bromo-2-oxopropanoate
Also Known As: benzyl 3-bromo-2-oxopropanoate, benzyl3-bromo-2-oxopropanoate
Technical Specifications
| Molecular Formula | C10H9BrO3 |
| Molecular Weight | 255.97351 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 255.97351 Da |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)C(=O)CBr |
| InChIKey | LMOLAERNKHNYLV-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl 3-bromo-2-oxopropanoate
Property Insights of Benzyl 3-bromo-2-oxopropanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-bromo-2-oxopropanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Benzyl 3-bromo-2-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-bromo-2-oxopropanoate 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 Benzyl 3-bromo-2-oxopropanoate?
The CAS number of Benzyl 3-bromo-2-oxopropanoate is 147765-51-3.
What is the molecular formula of Benzyl 3-bromo-2-oxopropanoate?
The molecular formula of Benzyl 3-bromo-2-oxopropanoate is C10H9BrO3.
What is the molecular weight of Benzyl 3-bromo-2-oxopropanoate?
The molecular weight of Benzyl 3-bromo-2-oxopropanoate is 255.97351 g/mol.
Where can I buy Benzyl 3-bromo-2-oxopropanoate?
You can request a quote for Benzyl 3-bromo-2-oxopropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl 3-bromo-2-oxopropanoate?
Yes, CoreyChem provides custom synthesis services for Benzyl 3-bromo-2-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.