2-Oxo-2-phenylethyl 4-bromobut-2-enoate
TL;DR: 2-Oxo-2-phenylethyl 4-bromobut-2-enoate (CAS 154561-38-3) is a chemical compound with molecular formula C12H11BrO3 and molecular weight 281.98917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
phenacyl (E)-4-bromobut-2-enoate
Also Known As: Phenacyl 4-bromocrotonate, 2-oxo-2-phenylethyl 4-bromobut-2-enoate, phenacyl (E)-4-bromobut-2-enoate, phenacyl 4-bromobut-2-enoate, 4-Bromocrotonicacid phenacyl ester
Technical Specifications
| Molecular Formula | C12H11BrO3 |
| Molecular Weight | 281.98917 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 281.98917 Da |
| Heavy Atoms | 16 |
| Complexity | 267.0 |
| SMILES | C1=CC=C(C=C1)C(=O)COC(=O)/C=C/CBr |
| InChIKey | JARTYZWEUJDLPS-QPJJXVBHSA-N |
Chemical Property Profile of 2-Oxo-2-phenylethyl 4-bromobut-2-enoate
Property Insights of 2-Oxo-2-phenylethyl 4-bromobut-2-enoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxo-2-phenylethyl 4-bromobut-2-enoate. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Oxo-2-phenylethyl 4-bromobut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxo-2-phenylethyl 4-bromobut-2-enoate 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-Oxo-2-phenylethyl 4-bromobut-2-enoate?
The CAS number of 2-Oxo-2-phenylethyl 4-bromobut-2-enoate is 154561-38-3.
What is the molecular formula of 2-Oxo-2-phenylethyl 4-bromobut-2-enoate?
The molecular formula of 2-Oxo-2-phenylethyl 4-bromobut-2-enoate is C12H11BrO3.
What is the molecular weight of 2-Oxo-2-phenylethyl 4-bromobut-2-enoate?
The molecular weight of 2-Oxo-2-phenylethyl 4-bromobut-2-enoate is 281.98917 g/mol.
Where can I buy 2-Oxo-2-phenylethyl 4-bromobut-2-enoate?
You can request a quote for 2-Oxo-2-phenylethyl 4-bromobut-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Oxo-2-phenylethyl 4-bromobut-2-enoate?
Yes, CoreyChem provides custom synthesis services for 2-Oxo-2-phenylethyl 4-bromobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.