alpha-Bromocinnamaldehyde
TL;DR: alpha-Bromocinnamaldehyde (CAS 5443-49-2) is a chemical compound with molecular formula C9H7BrO and molecular weight 209.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-3-phenylprop-2-enal
Also Known As: alpha-Bromocinnamaldehyde, 2-Bromocinnamaldehyde, Bromocinnamal, Alphabrocine, bromocinnamaldehyde
| Molecular Formula | C9H7BrO |
|---|---|
| Molecular Weight | 209.97 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.96803 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 5443-49-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=C(C=O)Br |
| InChIKey | WQRWNOKNRHCLHV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Bromocinnamaldehyde (CAS 5443-49-2), with molecular formula C9H7BrO and molecular weight 209.97 g/mol. IUPAC: 2-bromo-3-phenylprop-2-enal.
Chemical Property Profile of alpha-Bromocinnamaldehyde
Property Insights of alpha-Bromocinnamaldehyde
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Bromocinnamaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, alpha-Bromocinnamaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Bromocinnamaldehyde has 0 hydrogen bond donor(s) and 1 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 alpha-Bromocinnamaldehyde?
The CAS number of alpha-Bromocinnamaldehyde is 5443-49-2.
What is the molecular formula of alpha-Bromocinnamaldehyde?
The molecular formula of alpha-Bromocinnamaldehyde is C9H7BrO.
What is the molecular weight of alpha-Bromocinnamaldehyde?
The molecular weight of alpha-Bromocinnamaldehyde is 209.97 g/mol.
Where can I buy alpha-Bromocinnamaldehyde?
You can request a quote for alpha-Bromocinnamaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Bromocinnamaldehyde?
Yes, KEHONG BIO provides custom synthesis services for alpha-Bromocinnamaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.