4-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile
TL;DR: 4-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile (CAS 216016-68-1) is a chemical compound with molecular formula C14H10N2O2 and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,4-dihydroxyphenyl)methylideneamino]benzonitrile
Also Known As: 4-[(2,4-Dihydroxy-benzylidene)-amino]-benzonitrile, 4-[[(2,4-Dihydroxyphenyl)methylene]amino]benzonitrile, 4-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile, 4-{[(2,4-Dihydroxyphenyl)methylidene]amino}benzonitrile, 4-([(E)-(2,4-Dihydroxyphenyl)methylidene]amino)benzonitrile #
| Molecular Formula | C14H10N2O2 |
|---|---|
| Molecular Weight | 238.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 76.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 238.07423 |
| Heavy Atoms | 18 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 216016-68-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)N=CC2=C(C=C(C=C2)O)O |
| InChIKey | GSHGDQMCDPPIOO-UHFFFAOYSA-N |
Product Overview
4-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile (CAS 216016-68-1), with molecular formula C14H10N2O2 and molecular weight 238.07 g/mol. IUPAC: 4-[(2,4-dihydroxyphenyl)methylideneamino]benzonitrile.
Chemical Property Profile of 4-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile
Property Insights of 4-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile. The TPSA of 76.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile. Following Lipinski's Rule of Five, 4-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile has 2 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-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile?
The CAS number of 4-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile is 216016-68-1.
What is the molecular formula of 4-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile?
The molecular formula of 4-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile is C14H10N2O2.
What is the molecular weight of 4-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile?
The molecular weight of 4-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile is 238.07 g/mol.
Where can I buy 4-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile?
You can request a quote for 4-(((2,4-Dihydroxyphenyl)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-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(((2,4-Dihydroxyphenyl)methylene)amino)benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.