2-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-2-EN-1-one
TL;DR: 2-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-2-EN-1-one (CAS 1023479-67-5) is a chemical compound with molecular formula C13H11F3N2O3 and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-3-[3-(trifluoromethyl)anilino]cyclohex-2-en-1-one
Also Known As: 2-NITRO-3-((3-(TRIFLUOROMETHYL)PHENYL)AMINO)CYCLOHEX-2-EN-1-ONE, 2-nitro-3-[3-(trifluoromethyl)anilino]cyclohex-2-en-1-one, 2-nitro-3-[[3-(trifluoromethyl)phenyl]amino]cyclohex-2-en-1-one, 2-nitro-3-{[3-(trifluoromethyl)phenyl]amino}cyclohex-2-en-1-one
| Molecular Formula | C13H11F3N2O3 |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 3.3586 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.07217 |
| Heavy Atoms | 21 |
| Complexity | 623.33264 |
Chemical Identifiers
| CAS Number | 1023479-67-5 |
|---|---|
| SMILES | C1CC(=C(C(=O)C1)[N+](=O)[O-])NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
2-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-2-EN-1-one (CAS 1023479-67-5), with molecular formula C13H11F3N2O3 and molecular weight 300.07 g/mol. IUPAC: 2-nitro-3-[3-(trifluoromethyl)anilino]cyclohex-2-en-1-one.
Chemical Property Profile of 2-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-2-EN-1-one
Property Insights of 2-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-2-EN-1-one
The XLogP value of 3.3586 indicates that 2-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-2-EN-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-2-EN-1-one. Following Lipinski's Rule of Five, 2-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-2-EN-1-one has 1 hydrogen bond donor(s) and 4 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-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-2-EN-1-one?
The CAS number of 2-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-2-EN-1-one is 1023479-67-5.
What is the molecular formula of 2-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-2-EN-1-one?
The molecular formula of 2-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-2-EN-1-one is C13H11F3N2O3.
What is the molecular weight of 2-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-2-EN-1-one?
The molecular weight of 2-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-2-EN-1-one is 300.07 g/mol.
Where can I buy 2-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-2-EN-1-one?
You can request a quote for 2-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-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 2-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-2-EN-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-3-((3-(trifluoromethyl)phenyl)amino)cyclohex-2-EN-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.