3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE
TL;DR: 3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE (CAS 78431-56-8) is a chemical compound with molecular formula C22H28N2O2 and molecular weight 352.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]anilino]-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE, 3-[3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]anilino]-5,5-dimethylcyclohex-2-en-1-one, 3-({3-[(5,5-dimethyl-3-oxocyclohex-1-en-1-yl)amino]phenyl}amino)-5,5-dimethylcyclohex-2-en-1-one, 3-[[3-[(5,5-dimethyl-3-oxo-1-cyclohexenyl)amino]phenyl]amino]-5,5-dimethyl-cyclohex-2-en-1-one, 3-[3-[(5,5-dimethyl-3-oxo-cyclohexen-1-yl)amino]anilino]-5,5-dimethyl-cyclohex-2-en-1-one
| Molecular Formula | C22H28N2O2 |
|---|---|
| Molecular Weight | 352.22 g/mol |
| LogP | 5.0564 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.2151 |
| Heavy Atoms | 26 |
| Complexity | 736.86523 |
Chemical Identifiers
| CAS Number | 78431-56-8 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NC2=CC(=CC=C2)NC3=CC(=O)CC(C3)(C)C)C |
Product Overview
3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE (CAS 78431-56-8), with molecular formula C22H28N2O2 and molecular weight 352.22 g/mol. IUPAC: 3-[3-[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]anilino]-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE
Property Insights of 3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE
The XLogP value of 5.0564 indicates that 3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, 3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE?
The CAS number of 3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE is 78431-56-8.
What is the molecular formula of 3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE?
The molecular formula of 3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE is C22H28N2O2.
What is the molecular weight of 3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE?
The molecular weight of 3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE is 352.22 g/mol.
Where can I buy 3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE?
You can request a quote for 3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE?
Yes, KEHONG BIO provides custom synthesis services for 3-((3-((5,5-DIMETHYL-3-OXOCYCLOHEX-1-ENYL)AMINO)PHENYL)AMINO)-5,5-DIMETHYLCYCLOHEX-2-EN-1-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.