Trans-4-bromocinnamaldehyde
TL;DR: Trans-4-bromocinnamaldehyde (CAS 33118-85-3) 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.
(E)-3-(4-bromophenyl)prop-2-enal
Also Known As: 4-BROMOCINNAMALDEHYDE, trans-4-Bromocinnamaldehyde, (E)-3-(4-Bromophenyl)acrylaldehyde, 3-(4-bromophenyl)acrylaldehyde, p-Br-cinnamaldehyde
| Molecular Formula | C9H7BrO |
|---|---|
| Molecular Weight | 209.97 g/mol |
| LogP | 2.6612 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 209.96803 |
| Heavy Atoms | 11 |
| Complexity | 261.39615 |
Chemical Identifiers
| CAS Number | 33118-85-3 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C=O)Br |
Product Overview
Trans-4-bromocinnamaldehyde (CAS 33118-85-3), with molecular formula C9H7BrO and molecular weight 209.97 g/mol. IUPAC: (E)-3-(4-bromophenyl)prop-2-enal.
Chemical Property Profile of Trans-4-bromocinnamaldehyde
Property Insights of Trans-4-bromocinnamaldehyde
The XLogP value of 2.6612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trans-4-bromocinnamaldehyde. With a topological polar surface area (TPSA) of 17.07 Ų, Trans-4-bromocinnamaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trans-4-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 Trans-4-bromocinnamaldehyde?
The CAS number of Trans-4-bromocinnamaldehyde is 33118-85-3.
What is the molecular formula of Trans-4-bromocinnamaldehyde?
The molecular formula of Trans-4-bromocinnamaldehyde is C9H7BrO.
What is the molecular weight of Trans-4-bromocinnamaldehyde?
The molecular weight of Trans-4-bromocinnamaldehyde is 209.97 g/mol.
Where can I buy Trans-4-bromocinnamaldehyde?
You can request a quote for Trans-4-bromocinnamaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trans-4-bromocinnamaldehyde?
Yes, KEHONG BIO provides custom synthesis services for Trans-4-bromocinnamaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.