(1,1'-Biphenyl)-4,4'-dicarbonitrile
TL;DR: (1,1'-Biphenyl)-4,4'-dicarbonitrile (CAS 1591-30-6) is a chemical compound with molecular formula C14H8N2 and molecular weight 204.06874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-cyanophenyl)benzonitrile
Also Known As: 4,4'-BIPHENYLDICARBONITRILE, 4,4'-Dicyanobiphenyl, [1,1'-Biphenyl]-4,4'-dicarbonitrile, Biphenyl-4,4'-dicarbonitrile, 4,4'-Dicyanodiphenyl
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H8N2 |
| Molecular Weight | 204.06874 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.06874 Da |
| Heavy Atoms | 16 |
| Complexity | 279.0 |
| SMILES | C1=CC(=CC=C1C#N)C2=CC=C(C=C2)C#N |
| InChIKey | KAXYYLCSSXFXKR-UHFFFAOYSA-N |
Chemical Property Profile of (1,1'-Biphenyl)-4,4'-dicarbonitrile
Property Insights of (1,1'-Biphenyl)-4,4'-dicarbonitrile
The XLogP value of 3.8 indicates that (1,1'-Biphenyl)-4,4'-dicarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, (1,1'-Biphenyl)-4,4'-dicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1,1'-Biphenyl)-4,4'-dicarbonitrile 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
What is the CAS number of (1,1'-Biphenyl)-4,4'-dicarbonitrile?
The CAS number of (1,1'-Biphenyl)-4,4'-dicarbonitrile is 1591-30-6.
What is the molecular formula of (1,1'-Biphenyl)-4,4'-dicarbonitrile?
The molecular formula of (1,1'-Biphenyl)-4,4'-dicarbonitrile is C14H8N2.
What is the molecular weight of (1,1'-Biphenyl)-4,4'-dicarbonitrile?
The molecular weight of (1,1'-Biphenyl)-4,4'-dicarbonitrile is 204.06874 g/mol.
Where can I buy (1,1'-Biphenyl)-4,4'-dicarbonitrile?
You can request a quote for (1,1'-Biphenyl)-4,4'-dicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1,1'-Biphenyl)-4,4'-dicarbonitrile?
Yes, CoreyChem provides custom synthesis services for (1,1'-Biphenyl)-4,4'-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.