4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one
TL;DR: 4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one (CAS 53833-48-0) is a chemical compound with molecular formula C10H6BrF3OS and molecular weight 309.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)-1,1,1-trifluoro-4-sulfanylbut-3-en-2-one
Also Known As: 4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one, 4-(4-bromophenyl)-1,1,1-trifluoro-4-sulfanylbut-3-en-2-one
| Molecular Formula | C10H6BrF3OS |
|---|---|
| Molecular Weight | 309.93 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 18.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.9275 |
| Heavy Atoms | 16 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 53833-48-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=CC(=O)C(F)(F)F)S)Br |
| InChIKey | MXFBQEFTLZNCGD-UHFFFAOYSA-N |
Product Overview
4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one (CAS 53833-48-0), with molecular formula C10H6BrF3OS and molecular weight 309.93 g/mol. IUPAC: 4-(4-bromophenyl)-1,1,1-trifluoro-4-sulfanylbut-3-en-2-one.
Chemical Property Profile of 4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one
Property Insights of 4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one
The XLogP value of 3.8 indicates that 4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.1 Ų, 4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one has 1 hydrogen bond donor(s) and 5 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 4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one?
The CAS number of 4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one is 53833-48-0.
What is the molecular formula of 4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one?
The molecular formula of 4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one is C10H6BrF3OS.
What is the molecular weight of 4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one?
The molecular weight of 4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one is 309.93 g/mol.
Where can I buy 4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one?
You can request a quote for 4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Bromophenyl)-1,1,1-trifluoro-4-mercapto-3-buten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.