![4'-bromo-[1,1'-Biphenyl]-4-carbonitrile structure](/static/products/5777/57774-35-3.webp)
4'-bromo-[1,1'-Biphenyl]-4-carbonitrile
TL;DR: 4'-bromo-[1,1'-Biphenyl]-4-carbonitrile (CAS 57774-35-3) is a chemical compound with molecular formula C13H8BrN and molecular weight 256.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-bromophenyl)benzonitrile
Also Known As: 4'-bromo-[1,1'-Biphenyl]-4-carbonitrile, 4'-Bromo-4-cyano-biphenyl, 4-(4-bromophenyl)benzonitrile, 4'-Bromo-4-cyanobiphenyl, 4-bromo-4'-cyanobiphenyl
| Molecular Formula | C13H8BrN |
|---|---|
| Molecular Weight | 256.98 g/mol |
| LogP | 3.98778 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.984 |
| Heavy Atoms | 15 |
| Complexity | 491.55432 |
Chemical Identifiers
| CAS Number | 57774-35-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C2=CC=C(C=C2)Br |
Product Overview
4'-bromo-[1,1'-Biphenyl]-4-carbonitrile (CAS 57774-35-3), with molecular formula C13H8BrN and molecular weight 256.98 g/mol. IUPAC: 4-(4-bromophenyl)benzonitrile.
Chemical Property Profile of 4'-bromo-[1,1'-Biphenyl]-4-carbonitrile
Property Insights of 4'-bromo-[1,1'-Biphenyl]-4-carbonitrile
The XLogP value of 3.98778 indicates that 4'-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 23.79 Ų, 4'-bromo-[1,1'-Biphenyl]-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-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
Frequently Asked Questions
What is the CAS number of 4'-bromo-[1,1'-Biphenyl]-4-carbonitrile?
The CAS number of 4'-bromo-[1,1'-Biphenyl]-4-carbonitrile is 57774-35-3.
What is the molecular formula of 4'-bromo-[1,1'-Biphenyl]-4-carbonitrile?
The molecular formula of 4'-bromo-[1,1'-Biphenyl]-4-carbonitrile is C13H8BrN.
What is the molecular weight of 4'-bromo-[1,1'-Biphenyl]-4-carbonitrile?
The molecular weight of 4'-bromo-[1,1'-Biphenyl]-4-carbonitrile is 256.98 g/mol.
Where can I buy 4'-bromo-[1,1'-Biphenyl]-4-carbonitrile?
You can request a quote for 4'-bromo-[1,1'-Biphenyl]-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-bromo-[1,1'-Biphenyl]-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4'-bromo-[1,1'-Biphenyl]-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.