![4-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile structure](/static/products/1910/191089-79-9.webp)
4-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile
TL;DR: 4-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile (CAS 191089-79-9) is a chemical compound with molecular formula C13H12N2O and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-oxocyclohexen-1-yl)amino]benzonitrile
Also Known As: 4-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile, 4-(3-Oxo-cyclohex-1-enylamino)-benzonitrile, 4-[(3-oxocyclohexen-1-yl)amino]benzonitrile, 4-[(3-Oxo-1-cyclohexen-1-yl)amino]benzonitrile, 4-[(3-OXOCYCLOHEX-1-EN-1-YL)AMINO]BENZONITRILE
| Molecular Formula | C13H12N2O |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | 2.60708 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.09496 |
| Heavy Atoms | 16 |
| Complexity | 465.7011 |
Chemical Identifiers
| CAS Number | 191089-79-9 |
|---|---|
| SMILES | C1CC(=CC(=O)C1)NC2=CC=C(C=C2)C#N |
Product Overview
4-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile (CAS 191089-79-9), with molecular formula C13H12N2O and molecular weight 212.09 g/mol. IUPAC: 4-[(3-oxocyclohexen-1-yl)amino]benzonitrile.
Chemical Property Profile of 4-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile
Property Insights of 4-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile
The XLogP value of 2.60708 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile. With a topological polar surface area (TPSA) of 52.89 Ų, 4-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(3-Oxo-1-cyclohexenyl)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 4-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile?
The CAS number of 4-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile is 191089-79-9.
What is the molecular formula of 4-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile?
The molecular formula of 4-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile is C13H12N2O.
What is the molecular weight of 4-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile?
The molecular weight of 4-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile is 212.09 g/mol.
Where can I buy 4-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile?
You can request a quote for 4-[(3-Oxo-1-cyclohexenyl)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-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[(3-Oxo-1-cyclohexenyl)amino]benzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.