bromochalcone
TL;DR: bromochalcone (CAS 36081-77-3) 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-(2-bromophenyl)-1-phenylprop-2-en-1-one
Also Known As: bromochalcone, 2-Bromochalcone, 3-(2-bromophenyl)-1-phenylprop-2-en-1-one, 3-(bromophenyl)-1-phenyl-2-propen-1-one, NCI60_035937
| Molecular Formula | C15H11BrO |
|---|---|
| Molecular Weight | 286.00 g/mol |
| LogP | 4.4 |
| 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 | 36081-77-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C=CC2=CC=CC=C2Br |
| InChIKey | OLPPSDMJGDTGJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
bromochalcone (CAS 36081-77-3), with molecular formula C15H11BrO and molecular weight 286.00 g/mol. IUPAC: 3-(2-bromophenyl)-1-phenylprop-2-en-1-one.
Chemical Property Profile of bromochalcone
Property Insights of bromochalcone
The XLogP value of 4.4 indicates that bromochalcone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, bromochalcone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, bromochalcone 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 bromochalcone?
The CAS number of bromochalcone is 36081-77-3.
What is the molecular formula of bromochalcone?
The molecular formula of bromochalcone is C15H11BrO.
What is the molecular weight of bromochalcone?
The molecular weight of bromochalcone is 286.00 g/mol.
Where can I buy bromochalcone?
You can request a quote for bromochalcone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bromochalcone?
Yes, KEHONG BIO provides custom synthesis services for bromochalcone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.