![3'-Bromo[1,1'-biphenyl]-4-carbonitrile structure](/static/products/1605/160521-46-0.webp)
3'-Bromo[1,1'-biphenyl]-4-carbonitrile
TL;DR: 3'-Bromo[1,1'-biphenyl]-4-carbonitrile (CAS 160521-46-0) is a chemical compound with molecular formula C13H8BrN and molecular weight 256.984 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-bromophenyl)benzonitrile
Also Known As: 3'-Bromo-[1,1'-biphenyl]-4-carbonitrile, 4-(3-bromophenyl)benzonitrile, 3'-Bromo[1,1'-biphenyl]-4-carbonitrile, 3'-bromo-4-cyanobiphenyl, 3'-BROMO-4-CYANO-BIPHENYL
Technical Specifications
| Molecular Formula | C13H8BrN |
| Molecular Weight | 256.984 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.984 Da |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
| SMILES | C1=CC(=CC(=C1)Br)C2=CC=C(C=C2)C#N |
| InChIKey | ZGHLPFNAHBELBC-UHFFFAOYSA-N |
Chemical Property Profile of 3'-Bromo[1,1'-biphenyl]-4-carbonitrile
Property Insights of 3'-Bromo[1,1'-biphenyl]-4-carbonitrile
The XLogP value of 4.0 indicates that 3'-Bromo[1,1'-biphenyl]-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3'-Bromo[1,1'-biphenyl]-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3'-Bromo[1,1'-biphenyl]-4-carbonitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3'-Bromo[1,1'-biphenyl]-4-carbonitrile?
The CAS number of 3'-Bromo[1,1'-biphenyl]-4-carbonitrile is 160521-46-0.
What is the molecular formula of 3'-Bromo[1,1'-biphenyl]-4-carbonitrile?
The molecular formula of 3'-Bromo[1,1'-biphenyl]-4-carbonitrile is C13H8BrN.
What is the molecular weight of 3'-Bromo[1,1'-biphenyl]-4-carbonitrile?
The molecular weight of 3'-Bromo[1,1'-biphenyl]-4-carbonitrile is 256.984 g/mol.
Where can I buy 3'-Bromo[1,1'-biphenyl]-4-carbonitrile?
You can request a quote for 3'-Bromo[1,1'-biphenyl]-4-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3'-Bromo[1,1'-biphenyl]-4-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 3'-Bromo[1,1'-biphenyl]-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.