4-Bromo-2,3,5,6-tetrafluorobenzonitrile
TL;DR: 4-Bromo-2,3,5,6-tetrafluorobenzonitrile (CAS 17823-40-4) is a chemical compound with molecular formula C7BrF4N and molecular weight 252.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2,3,5,6-tetrafluorobenzonitrile
Also Known As: 4-Bromo-2,3,5,6-tetrafluorobenzonitrile, 4-Bromotetrafluorobenzonitrile, C7BrF4N, 4-bromotetrafluoro-benzonitrile, 4-bromotetrafluorophenyl cyanide
| Molecular Formula | C7BrF4N |
|---|---|
| Molecular Weight | 252.92 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 252.91502 |
| Heavy Atoms | 13 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 17823-40-4 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1F)F)Br)F)F |
| InChIKey | STJZOKCIEOTPDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-2,3,5,6-tetrafluorobenzonitrile (CAS 17823-40-4), with molecular formula C7BrF4N and molecular weight 252.92 g/mol. IUPAC: 4-bromo-2,3,5,6-tetrafluorobenzonitrile.
Chemical Property Profile of 4-Bromo-2,3,5,6-tetrafluorobenzonitrile
Property Insights of 4-Bromo-2,3,5,6-tetrafluorobenzonitrile
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-2,3,5,6-tetrafluorobenzonitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 4-Bromo-2,3,5,6-tetrafluorobenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2,3,5,6-tetrafluorobenzonitrile has 0 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-Bromo-2,3,5,6-tetrafluorobenzonitrile?
The CAS number of 4-Bromo-2,3,5,6-tetrafluorobenzonitrile is 17823-40-4.
What is the molecular formula of 4-Bromo-2,3,5,6-tetrafluorobenzonitrile?
The molecular formula of 4-Bromo-2,3,5,6-tetrafluorobenzonitrile is C7BrF4N.
What is the molecular weight of 4-Bromo-2,3,5,6-tetrafluorobenzonitrile?
The molecular weight of 4-Bromo-2,3,5,6-tetrafluorobenzonitrile is 252.92 g/mol.
Where can I buy 4-Bromo-2,3,5,6-tetrafluorobenzonitrile?
You can request a quote for 4-Bromo-2,3,5,6-tetrafluorobenzonitrile 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-tetrafluorobenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2,3,5,6-tetrafluorobenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.