Alpha-bromocinnamic acid
TL;DR: Alpha-bromocinnamic acid (CAS 15894-30-1) is a chemical compound with molecular formula C9H7BrO2 and molecular weight 225.96294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-bromo-3-phenylprop-2-enoic acid
Also Known As: Bromzimtsaure, alpha-bromocinnamic acid, alpha-Bromo-cis-cinnamic acid, 2-Propenoic acid,2-bromo-3-phenyl-, 2-bromo-3-phenylprop-2-enoic acid
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H7BrO2 |
| Molecular Weight | 225.96294 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.96294 Da |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
| SMILES | C1=CC=C(C=C1)C=C(C(=O)O)Br |
| InChIKey | HBMGEXMZDMAEDN-UHFFFAOYSA-N |
Chemical Property Profile of Alpha-bromocinnamic acid
Property Insights of Alpha-bromocinnamic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alpha-bromocinnamic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Alpha-bromocinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alpha-bromocinnamic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Alpha-bromocinnamic acid?
The CAS number of Alpha-bromocinnamic acid is 15894-30-1.
What is the molecular formula of Alpha-bromocinnamic acid?
The molecular formula of Alpha-bromocinnamic acid is C9H7BrO2.
What is the molecular weight of Alpha-bromocinnamic acid?
The molecular weight of Alpha-bromocinnamic acid is 225.96294 g/mol.
Where can I buy Alpha-bromocinnamic acid?
You can request a quote for Alpha-bromocinnamic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Alpha-bromocinnamic acid?
Yes, CoreyChem provides custom synthesis services for Alpha-bromocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.