4'-Bromo-4-methoxychalcone
TL;DR: 4'-Bromo-4-methoxychalcone (CAS 126443-12-7) is a chemical compound with molecular formula C16H13BrO2 and molecular weight 316.0099 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(4-bromophenyl)-3-(4-methoxyphenyl)prop-2-en-1-one
Also Known As: 4'-Bromo-4-methoxychalcone, 4 -Bromo-4-methoxychalcone, 4-Methoxy-4 -bromochalcone, 4'-Brom-4-methoxy-trans-chalkon, trans-4'-Bromo-4-methoxychalcone
Technical Specifications
| Molecular Formula | C16H13BrO2 |
| Molecular Weight | 316.0099 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 316.0099 Da |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
| SMILES | COC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)Br |
| InChIKey | FTECEXAWFUIWJG-NYYWCZLTSA-N |
Chemical Property Profile of 4'-Bromo-4-methoxychalcone
Property Insights of 4'-Bromo-4-methoxychalcone
The XLogP value of 3.7 indicates that 4'-Bromo-4-methoxychalcone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4'-Bromo-4-methoxychalcone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Bromo-4-methoxychalcone has 0 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 4'-Bromo-4-methoxychalcone?
The CAS number of 4'-Bromo-4-methoxychalcone is 126443-12-7.
What is the molecular formula of 4'-Bromo-4-methoxychalcone?
The molecular formula of 4'-Bromo-4-methoxychalcone is C16H13BrO2.
What is the molecular weight of 4'-Bromo-4-methoxychalcone?
The molecular weight of 4'-Bromo-4-methoxychalcone is 316.0099 g/mol.
Where can I buy 4'-Bromo-4-methoxychalcone?
You can request a quote for 4'-Bromo-4-methoxychalcone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4'-Bromo-4-methoxychalcone?
Yes, CoreyChem provides custom synthesis services for 4'-Bromo-4-methoxychalcone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.