Benzonitrile, 3-(2-hydroxybenzylidenamino)-
TL;DR: Benzonitrile, 3-(2-hydroxybenzylidenamino)- (CAS 1133909-87-1) is a chemical compound with molecular formula C14H10N2O and molecular weight 222.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-hydroxyphenyl)methylideneamino]benzonitrile
Also Known As: Benzonitrile, 3-(2-hydroxybenzylidenamino)-, 3-(2-Hydroxybenzylideneamino)benzonitrile, 3-[(2-hydroxybenzylidene)amino]benzonitrile, 3-{[(1E)-(2-hydroxyphenyl)methylene]amino}benzonitrile, (E)-3-((2-hydroxybenzylidene)amino)benzonitrile
| Molecular Formula | C14H10N2O |
|---|---|
| Molecular Weight | 222.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.07932 |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 1133909-87-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NC2=CC=CC(=C2)C#N)O |
| InChIKey | MNEKPPWOMPRBIN-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 3-(2-hydroxybenzylidenamino)- (CAS 1133909-87-1), with molecular formula C14H10N2O and molecular weight 222.08 g/mol. IUPAC: 3-[(2-hydroxyphenyl)methylideneamino]benzonitrile.
Chemical Property Profile of Benzonitrile, 3-(2-hydroxybenzylidenamino)-
Property Insights of Benzonitrile, 3-(2-hydroxybenzylidenamino)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzonitrile, 3-(2-hydroxybenzylidenamino)-. With a topological polar surface area (TPSA) of 56.4 Ų, Benzonitrile, 3-(2-hydroxybenzylidenamino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 3-(2-hydroxybenzylidenamino)- 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 Benzonitrile, 3-(2-hydroxybenzylidenamino)-?
The CAS number of Benzonitrile, 3-(2-hydroxybenzylidenamino)- is 1133909-87-1.
What is the molecular formula of Benzonitrile, 3-(2-hydroxybenzylidenamino)-?
The molecular formula of Benzonitrile, 3-(2-hydroxybenzylidenamino)- is C14H10N2O.
What is the molecular weight of Benzonitrile, 3-(2-hydroxybenzylidenamino)-?
The molecular weight of Benzonitrile, 3-(2-hydroxybenzylidenamino)- is 222.08 g/mol.
Where can I buy Benzonitrile, 3-(2-hydroxybenzylidenamino)-?
You can request a quote for Benzonitrile, 3-(2-hydroxybenzylidenamino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 3-(2-hydroxybenzylidenamino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 3-(2-hydroxybenzylidenamino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.