3-Bromobenzalacetophenone
TL;DR: 3-Bromobenzalacetophenone (CAS 29816-74-8) is a chemical compound with molecular formula C15H11BrO and molecular weight 286.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-bromophenyl)-1-phenylprop-2-en-1-one
Also Known As: 3-bromobenzalacetophenone, m-Brombenzalacetophenon, 3-(3-bromophenyl)-1-phenylprop-2-en-1-one, 2-Propen-1-one, 3-(3-bromophenyl)-1-phenyl-, (2E)-3-(3-Bromophenyl)-1-phenylprop-2-en-1-one
| Molecular Formula | C15H11BrO |
|---|---|
| Molecular Weight | 286.00 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.99933 |
| Heavy Atoms | 17 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 29816-74-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)Br |
| InChIKey | COYCXICZZVMYLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Bromobenzalacetophenone (CAS 29816-74-8), with molecular formula C15H11BrO and molecular weight 286.00 g/mol. IUPAC: 3-(3-bromophenyl)-1-phenylprop-2-en-1-one.
Chemical Property Profile of 3-Bromobenzalacetophenone
Property Insights of 3-Bromobenzalacetophenone
The XLogP value of 3.8 indicates that 3-Bromobenzalacetophenone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Bromobenzalacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromobenzalacetophenone 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 3-Bromobenzalacetophenone?
The CAS number of 3-Bromobenzalacetophenone is 29816-74-8.
What is the molecular formula of 3-Bromobenzalacetophenone?
The molecular formula of 3-Bromobenzalacetophenone is C15H11BrO.
What is the molecular weight of 3-Bromobenzalacetophenone?
The molecular weight of 3-Bromobenzalacetophenone is 286.00 g/mol.
Where can I buy 3-Bromobenzalacetophenone?
You can request a quote for 3-Bromobenzalacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Bromobenzalacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromobenzalacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.