![4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile structure](/static/products/5226/5226-92-6.webp)
4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile
TL;DR: 4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile (CAS 5226-92-6) is a chemical compound with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile
Also Known As: 4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile, 4-((2-Hydroxy-3-methoxybenzylidene)amino)benzonitrile, 4-[(2-hydroxy-3-methoxybenzylidene)amino]benzonitrile, 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile, Benzonitrile, 4-[(E)-[(2-hydroxy-3-methoxyphenyl)methylene]amino]-
| Molecular Formula | C15H12N2O2 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.08987 |
| Heavy Atoms | 19 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 5226-92-6 |
|---|---|
| SMILES | COC1=CC=CC(=C1O)C=NC2=CC=C(C=C2)C#N |
| InChIKey | NLRSQJATJAWMAV-UHFFFAOYSA-N |
Product Overview
4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile (CAS 5226-92-6), with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol. IUPAC: 4-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzonitrile.
Chemical Property Profile of 4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile
Property Insights of 4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile. Following Lipinski's Rule of Five, 4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile has 1 hydrogen bond donor(s) and 4 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-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile?
The CAS number of 4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile is 5226-92-6.
What is the molecular formula of 4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile?
The molecular formula of 4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile is C15H12N2O2.
What is the molecular weight of 4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile?
The molecular weight of 4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile is 252.09 g/mol.
Where can I buy 4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile?
You can request a quote for 4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]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-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]amino}benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.