2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile
TL;DR: 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile (CAS 28442-30-0) is a chemical compound with molecular formula C14F8N2 and molecular weight 347.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-cyano-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzonitrile
Also Known As: 3-Methoxy-phthalic acid, 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile, Octafluorobiphenyl-4,4 -dicarbonitrile, J1.320.262A, [1,1'-Biphenyl]-4,4'-dicarbonitrile,2,2',3,3',5,5',6,6'-octafluoro-
| Molecular Formula | C14F8N2 |
|---|---|
| Molecular Weight | 347.99 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 347.99338 |
| Heavy Atoms | 24 |
| Complexity | 488.0 |
Chemical Identifiers
| CAS Number | 28442-30-0 |
|---|---|
| SMILES | C(#N)C1=C(C(=C(C(=C1F)F)C2=C(C(=C(C(=C2F)F)C#N)F)F)F)F |
| InChIKey | HNVWQUWFHAHEHY-UHFFFAOYSA-N |
Product Overview
2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile (CAS 28442-30-0), with molecular formula C14F8N2 and molecular weight 347.99 g/mol. IUPAC: 4-(4-cyano-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzonitrile.
Chemical Property Profile of 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile
Property Insights of 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile
The XLogP value of 3.8 indicates that 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile has 0 hydrogen bond donor(s) and 10 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 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile?
The CAS number of 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile is 28442-30-0.
What is the molecular formula of 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile?
The molecular formula of 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile is C14F8N2.
What is the molecular weight of 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile?
The molecular weight of 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile is 347.99 g/mol.
Where can I buy 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile?
You can request a quote for 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,2',3,3',5,5',6,6'-Octafluoro-4,4'-biphenyldicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.