4-(Trifluoromethylthio)phenacyl bromide
TL;DR: 4-(Trifluoromethylthio)phenacyl bromide (CAS 2003-11-4) is a chemical compound with molecular formula C9H6BrF3OS and molecular weight 297.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone
Also Known As: 4-(Trifluoromethylthio)phenacyl bromide, 4-(Trifluoromethylthio)phenacylbromide, 2-Bromo-4'-(trifluoromethylthio)acetophenone, 2-bromo-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone, 2-bromo-1-{4-[(trifluoromethyl)sulfanyl]phenyl}ethanone
| Molecular Formula | C9H6BrF3OS |
|---|---|
| Molecular Weight | 297.93 g/mol |
| LogP | 3.8761 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.9275 |
| Heavy Atoms | 15 |
| Complexity | 347.37024 |
Chemical Identifiers
| CAS Number | 2003-11-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CBr)SC(F)(F)F |
Product Overview
4-(Trifluoromethylthio)phenacyl bromide (CAS 2003-11-4), with molecular formula C9H6BrF3OS and molecular weight 297.93 g/mol. IUPAC: 2-bromo-1-[4-(trifluoromethylsulfanyl)phenyl]ethanone.
Chemical Property Profile of 4-(Trifluoromethylthio)phenacyl bromide
Property Insights of 4-(Trifluoromethylthio)phenacyl bromide
The XLogP value of 3.8761 indicates that 4-(Trifluoromethylthio)phenacyl bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 4-(Trifluoromethylthio)phenacyl bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethylthio)phenacyl bromide 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
Frequently Asked Questions
What is the CAS number of 4-(Trifluoromethylthio)phenacyl bromide?
The CAS number of 4-(Trifluoromethylthio)phenacyl bromide is 2003-11-4.
What is the molecular formula of 4-(Trifluoromethylthio)phenacyl bromide?
The molecular formula of 4-(Trifluoromethylthio)phenacyl bromide is C9H6BrF3OS.
What is the molecular weight of 4-(Trifluoromethylthio)phenacyl bromide?
The molecular weight of 4-(Trifluoromethylthio)phenacyl bromide is 297.93 g/mol.
Where can I buy 4-(Trifluoromethylthio)phenacyl bromide?
You can request a quote for 4-(Trifluoromethylthio)phenacyl bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethylthio)phenacyl bromide?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethylthio)phenacyl bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.