1-(4-Bromophenyl)propane-1,2-dione
TL;DR: 1-(4-Bromophenyl)propane-1,2-dione (CAS 10557-20-7) is a chemical compound with molecular formula C9H7BrO2 and molecular weight 225.96294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-bromophenyl)propane-1,2-dione
Also Known As: 1-(4-bromophenyl)propane-1,2-dione, 1-(4-bromophenyl)-1,2-propanedione, H11214
Technical Specifications
| Molecular Formula | C9H7BrO2 |
| Molecular Weight | 225.96294 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.96294 Da |
| Heavy Atoms | 12 |
| Complexity | 193.0 |
| SMILES | CC(=O)C(=O)C1=CC=C(C=C1)Br |
| InChIKey | RDZGCSCMCXKNLQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4-Bromophenyl)propane-1,2-dione
Property Insights of 1-(4-Bromophenyl)propane-1,2-dione
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Bromophenyl)propane-1,2-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 1-(4-Bromophenyl)propane-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)propane-1,2-dione 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 1-(4-Bromophenyl)propane-1,2-dione?
The CAS number of 1-(4-Bromophenyl)propane-1,2-dione is 10557-20-7.
What is the molecular formula of 1-(4-Bromophenyl)propane-1,2-dione?
The molecular formula of 1-(4-Bromophenyl)propane-1,2-dione is C9H7BrO2.
What is the molecular weight of 1-(4-Bromophenyl)propane-1,2-dione?
The molecular weight of 1-(4-Bromophenyl)propane-1,2-dione is 225.96294 g/mol.
Where can I buy 1-(4-Bromophenyl)propane-1,2-dione?
You can request a quote for 1-(4-Bromophenyl)propane-1,2-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4-Bromophenyl)propane-1,2-dione?
Yes, CoreyChem provides custom synthesis services for 1-(4-Bromophenyl)propane-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.