Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)-
TL;DR: Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)- (CAS 145657-28-9) is a chemical compound with molecular formula C15H16N2O and molecular weight 240.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzonitrile
Also Known As: 2-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]benzonitrile, Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)-, 3-(2-Cyanoanilino)-5,5-dimethyl-2-cyclohexen-1-one, 2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzonitrile, 2-((5,5-Dimethyl-3-oxo-1-cyclohexen-1-yl)amino)benzonitrile
| Molecular Formula | C15H16N2O |
|---|---|
| Molecular Weight | 240.13 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.12627 |
| Heavy Atoms | 18 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 145657-28-9 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NC2=CC=CC=C2C#N)C |
| InChIKey | IXPVVOPDXTXQOP-UHFFFAOYSA-N |
Product Overview
Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)- (CAS 145657-28-9), with molecular formula C15H16N2O and molecular weight 240.13 g/mol. IUPAC: 2-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]benzonitrile.
Chemical Property Profile of Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)-
Property Insights of Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)-
The XLogP value of 3.3 indicates that Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)- 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, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)-?
The CAS number of Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)- is 145657-28-9.
What is the molecular formula of Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)-?
The molecular formula of Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)- is C15H16N2O.
What is the molecular weight of Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)-?
The molecular weight of Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)- is 240.13 g/mol.
Where can I buy Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)-?
You can request a quote for Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)-?
Yes, KEHONG BIO provides custom synthesis services for Benzonitrile, 2-((5,5-dimethyl-3-oxo-1-cyclohexen-1-yl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.