4-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile
TL;DR: 4-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile (CAS 5265-04-3) is a chemical compound with molecular formula C14H9N3O3 and molecular weight 267.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzonitrile
Also Known As: 4-[(2-hydroxy-5-nitrobenzylidene)amino]benzonitrile, 4-((2-HYDROXY-5-NITRO-BENZYLIDENE)-AMINO)-BENZONITRILE, 4-{[(E)-(2-hydroxy-5-nitrophenyl)methylidene]amino}benzonitrile, 4-[(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]benzonitrile, 4-[(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]benzonitrile
| Molecular Formula | C14H9N3O3 |
|---|---|
| Molecular Weight | 267.06 g/mol |
| LogP | 2.92268 |
| Topological Polar Surface Area | 99.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.0644 |
| Heavy Atoms | 20 |
| Complexity | 715.43427 |
Chemical Identifiers
| CAS Number | 5265-04-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)N=CC2=C(C=CC(=C2)[N+](=O)[O-])O |
Product Overview
4-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile (CAS 5265-04-3), with molecular formula C14H9N3O3 and molecular weight 267.06 g/mol. IUPAC: 4-[(2-hydroxy-5-nitrophenyl)methylideneamino]benzonitrile.
Chemical Property Profile of 4-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile
Property Insights of 4-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile
The XLogP value of 2.92268 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile. The TPSA of 99.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile. Following Lipinski's Rule of Five, 4-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile has 1 hydrogen bond donor(s) and 5 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-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile?
The CAS number of 4-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile is 5265-04-3.
What is the molecular formula of 4-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile?
The molecular formula of 4-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile is C14H9N3O3.
What is the molecular weight of 4-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile?
The molecular weight of 4-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile is 267.06 g/mol.
Where can I buy 4-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile?
You can request a quote for 4-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Hydroxy-5-nitro-benzylidene)-amino)-benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.