4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile
TL;DR: 4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile (CAS 87002-16-2) is a chemical compound with molecular formula C14H6F5NO and molecular weight 299.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,3,4,5,6-pentafluorophenyl)methoxy]benzonitrile
Also Known As: 4-[(Pentafluorophenyl)methoxy]benzonitrile, 4-[(2,3,4,5,6-pentafluorophenyl)methoxy]benzonitrile, 4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile, Benzonitrile, 4-((2,3,4,5,6-pentafluorophenyl)methoxy)-, Benzene,1-((4-tert-butyl-2-chlorophenoxy)methyl)-2,3,4,5,6-pentafluoro
| Molecular Formula | C14H6F5NO |
|---|---|
| Molecular Weight | 299.04 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.03696 |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 87002-16-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)OCC2=C(C(=C(C(=C2F)F)F)F)F |
| InChIKey | MTRAEERMBVXYFJ-UHFFFAOYSA-N |
Product Overview
4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile (CAS 87002-16-2), with molecular formula C14H6F5NO and molecular weight 299.04 g/mol. IUPAC: 4-[(2,3,4,5,6-pentafluorophenyl)methoxy]benzonitrile.
Chemical Property Profile of 4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile
Property Insights of 4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile
The XLogP value of 3.6 indicates that 4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.0 Ų, 4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile 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-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile?
The CAS number of 4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile is 87002-16-2.
What is the molecular formula of 4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile?
The molecular formula of 4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile is C14H6F5NO.
What is the molecular weight of 4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile?
The molecular weight of 4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile is 299.04 g/mol.
Where can I buy 4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile?
You can request a quote for 4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,3,4,5,6-Pentafluorophenyl)methoxy)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.