![2-[(4-Bromobenzylidene)amino]benzonitrile structure](/static/products/109/1093391-87-7.png)
2-[(4-Bromobenzylidene)amino]benzonitrile
TL;DR: 2-[(4-Bromobenzylidene)amino]benzonitrile (CAS 1093391-87-7) is a chemical compound with molecular formula C14H9BrN2 and molecular weight 283.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-bromophenyl)methylideneamino]benzonitrile
Also Known As: TimTec1_002747, 2-[(4-bromobenzylidene)amino]benzonitrile, N-(4-Bromobenzylidene)-2-cyanoaniline, 2-[(4-bromophenyl)methylideneamino]benzonitrile, Benzonitrile, 2-(4-bromobenzylidenamino)-
| Molecular Formula | C14H9BrN2 |
|---|---|
| Molecular Weight | 283.99 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 36.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.9949 |
| Heavy Atoms | 17 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 1093391-87-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)N=CC2=CC=C(C=C2)Br |
| InChIKey | YSZNKTGOIMMLEL-UHFFFAOYSA-N |
Product Overview
2-[(4-Bromobenzylidene)amino]benzonitrile (CAS 1093391-87-7), with molecular formula C14H9BrN2 and molecular weight 283.99 g/mol. IUPAC: 2-[(4-bromophenyl)methylideneamino]benzonitrile.
Chemical Property Profile of 2-[(4-Bromobenzylidene)amino]benzonitrile
Property Insights of 2-[(4-Bromobenzylidene)amino]benzonitrile
The XLogP value of 3.6 indicates that 2-[(4-Bromobenzylidene)amino]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.2 Ų, 2-[(4-Bromobenzylidene)amino]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Bromobenzylidene)amino]benzonitrile 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
Frequently Asked Questions
What is the CAS number of 2-[(4-Bromobenzylidene)amino]benzonitrile?
The CAS number of 2-[(4-Bromobenzylidene)amino]benzonitrile is 1093391-87-7.
What is the molecular formula of 2-[(4-Bromobenzylidene)amino]benzonitrile?
The molecular formula of 2-[(4-Bromobenzylidene)amino]benzonitrile is C14H9BrN2.
What is the molecular weight of 2-[(4-Bromobenzylidene)amino]benzonitrile?
The molecular weight of 2-[(4-Bromobenzylidene)amino]benzonitrile is 283.99 g/mol.
Where can I buy 2-[(4-Bromobenzylidene)amino]benzonitrile?
You can request a quote for 2-[(4-Bromobenzylidene)amino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Bromobenzylidene)amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Bromobenzylidene)amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.