4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride
TL;DR: 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride (CAS 17823-46-0) is a chemical compound with molecular formula C7BrF7 and molecular weight 295.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
Also Known As: 1-Bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene, 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride, p-Bromoheptafluorotoluene, 4-Bromoperfluorotoluene, C7BrF7
| Molecular Formula | C7BrF7 |
|---|---|
| Molecular Weight | 295.91 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 295.90717 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 17823-46-0 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1F)F)Br)F)F)C(F)(F)F |
| InChIKey | DONVNRFILRLHJB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride (CAS 17823-46-0), with molecular formula C7BrF7 and molecular weight 295.91 g/mol. IUPAC: 1-bromo-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene.
Chemical Property Profile of 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride
Property Insights of 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride
The XLogP value of 3.9 indicates that 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride has 0 hydrogen bond donor(s) and 7 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-Bromo-2,3,5,6-tetrafluorobenzotrifluoride?
The CAS number of 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride is 17823-46-0.
What is the molecular formula of 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride?
The molecular formula of 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride is C7BrF7.
What is the molecular weight of 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride?
The molecular weight of 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride is 295.91 g/mol.
Where can I buy 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride?
You can request a quote for 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2,3,5,6-tetrafluorobenzotrifluoride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.