2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile
TL;DR: 2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile (CAS 1022331-94-7) is a chemical compound with molecular formula C16H18N2O and molecular weight 254.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-oxo-5-propylcyclohexen-1-yl)amino]benzonitrile
Also Known As: 2-[(3-oxo-5-propylcyclohexen-1-yl)amino]benzonitrile, 2-((3-OXO-5-PROPYLCYCLOHEX-1-ENYL)AMINO)BENZENECARBONITRILE, 2-[(3-oxo-5-propylcyclohex-1-en-1-yl)amino]benzonitrile, 2-[(3-oxo-5-propyl-1-cyclohexenyl)amino]benzonitrile, 2-[(3-oxo-5-propyl-cyclohexen-1-yl)amino]benzonitrile
| Molecular Formula | C16H18N2O |
|---|---|
| Molecular Weight | 254.14 g/mol |
| LogP | 3.63328 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.1419 |
| Heavy Atoms | 19 |
| Complexity | 539.92505 |
Chemical Identifiers
| CAS Number | 1022331-94-7 |
|---|---|
| SMILES | CCCC1CC(=CC(=O)C1)NC2=CC=CC=C2C#N |
Product Overview
2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile (CAS 1022331-94-7), with molecular formula C16H18N2O and molecular weight 254.14 g/mol. IUPAC: 2-[(3-oxo-5-propylcyclohexen-1-yl)amino]benzonitrile.
Chemical Property Profile of 2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile
Property Insights of 2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile
The XLogP value of 3.63328 indicates that 2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile 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 2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile?
The CAS number of 2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile is 1022331-94-7.
What is the molecular formula of 2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile?
The molecular formula of 2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile is C16H18N2O.
What is the molecular weight of 2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile?
The molecular weight of 2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile is 254.14 g/mol.
Where can I buy 2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile?
You can request a quote for 2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-Oxo-5-propylcyclohex-1-enyl)amino)benzenecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.