5-Bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one
TL;DR: 5-Bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one (CAS 1164457-28-6) is a chemical compound with molecular formula C16H11BrO3 and molecular weight 329.98917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-2-hydroxy-3-[(E)-3-phenylprop-2-enoyl]cyclohepta-2,4,6-trien-1-one
Also Known As: 5-bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one, AP-355/42609657, 5-bromo-2-hydroxy-3-[(E)-3-phenylprop-2-enoyl]cyclohepta-2,4,6-trien-1-one, 5-bromo-2-hydroxy-3-[(E)-3-phenylacryloyl]cyclohepta-2,4,6-trien-1-one, 5-bromanyl-2-oxidanyl-3-[(E)-3-phenylprop-2-enoyl]cyclohepta-2,4,6-trien-1-one
Technical Specifications
| Molecular Formula | C16H11BrO3 |
| Molecular Weight | 329.98917 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.98917 Da |
| Heavy Atoms | 20 |
| Complexity | 532.0 |
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)C2=C(C(=O)C=CC(=C2)Br)O |
| InChIKey | XKZOSKRQFRGZQG-SOFGYWHQSA-N |
Chemical Property Profile of 5-Bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one
Property Insights of 5-Bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one
The XLogP value of 3.9 indicates that 5-Bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 5-Bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one has 1 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 5-Bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one?
The CAS number of 5-Bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one is 1164457-28-6.
What is the molecular formula of 5-Bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one?
The molecular formula of 5-Bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one is C16H11BrO3.
What is the molecular weight of 5-Bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one?
The molecular weight of 5-Bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one is 329.98917 g/mol.
Where can I buy 5-Bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one?
You can request a quote for 5-Bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one?
Yes, CoreyChem provides custom synthesis services for 5-Bromo-3-cinnamoyl-2-hydroxy-2,4,6-cycloheptatrien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.