![1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone structure](/static/products/5791/5791-75-3.webp)
1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone
TL;DR: 1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone (CAS 5791-75-3) is a chemical compound with molecular formula C19H16BrF3N2O2 and molecular weight 440.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[4-(2-bromo-4,5-difluorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone
Also Known As: 1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone, A2592/0110337, 1-[4-[4-(2-bromo-4,5-difluorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone, 1-{4-[4-(2-BROMO-4,5-DIFLUOROBENZOYL)PIPERAZIN-1-YL]-3-FLUOROPHENYL}ETHAN-1-ONE, 1-(4-{4-[(2-bromo-4,5-difluorophenyl)carbonyl]piperazin-1-yl}-3-fluorophenyl)ethanone
| Molecular Formula | C19H16BrF3N2O2 |
|---|---|
| Molecular Weight | 440.03 g/mol |
| LogP | 4.0314 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 440.03473 |
| Heavy Atoms | 27 |
| Complexity | 912.06805 |
Chemical Identifiers
| CAS Number | 5791-75-3 |
|---|---|
| SMILES | CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3Br)F)F)F |
Product Overview
1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone (CAS 5791-75-3), with molecular formula C19H16BrF3N2O2 and molecular weight 440.03 g/mol. IUPAC: 1-[4-[4-(2-bromo-4,5-difluorobenzoyl)piperazin-1-yl]-3-fluorophenyl]ethanone.
Chemical Property Profile of 1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone
Property Insights of 1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone
The XLogP value of 4.0314 indicates that 1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, 1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone has 0 hydrogen bond donor(s) and 3 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 1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone?
The CAS number of 1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone is 5791-75-3.
What is the molecular formula of 1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone?
The molecular formula of 1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone is C19H16BrF3N2O2.
What is the molecular weight of 1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone?
The molecular weight of 1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone is 440.03 g/mol.
Where can I buy 1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone?
You can request a quote for 1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{4-[4-(2-bromo-4,5-difluorobenzoyl)-1-piperazinyl]-3-fluorophenyl}ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.