![3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile structure](/static/products/3044/304453-75-6.webp)
3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile
TL;DR: 3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile (CAS 304453-75-6) is a chemical compound with molecular formula C14H9BrN2O and molecular weight 299.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzonitrile
Also Known As: 3-[(5-bromo-2-hydroxybenzylidene)amino]benzonitrile, 3-{[(1E)-(5-bromo-2-hydroxyphenyl)methylene]amino}benzonitrile, 3-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzonitrile, AN-329/10736034, 3-((5-Bromo-2-hydroxybenzylidene)amino)benzonitrile
| Molecular Formula | C14H9BrN2O |
|---|---|
| Molecular Weight | 299.99 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 299.98984 |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 304453-75-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N=CC2=C(C=CC(=C2)Br)O)C#N |
| InChIKey | FXBNNCOXFJBSSC-UHFFFAOYSA-N |
Product Overview
3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile (CAS 304453-75-6), with molecular formula C14H9BrN2O and molecular weight 299.99 g/mol. IUPAC: 3-[(5-bromo-2-hydroxyphenyl)methylideneamino]benzonitrile.
Chemical Property Profile of 3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile
Property Insights of 3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile
The XLogP value of 3.3 indicates that 3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.4 Ų, 3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile has 1 hydrogen bond donor(s) and 3 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 3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile?
The CAS number of 3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile is 304453-75-6.
What is the molecular formula of 3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile?
The molecular formula of 3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile is C14H9BrN2O.
What is the molecular weight of 3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile?
The molecular weight of 3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile is 299.99 g/mol.
Where can I buy 3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile?
You can request a quote for 3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5-Bromo-2-hydroxybenzylidene)amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.