3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one
TL;DR: 3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one (CAS 738592-87-5) is a chemical compound with molecular formula C16H9F3N2O4 and molecular weight 350.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-[3-(trifluoromethyl)anilino]chromen-2-one
Also Known As: 3-nitro-4-[3-(trifluoromethyl)anilino]chromen-2-one, 3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one, 3-nitro-4-{[3-(trifluoromethyl)phenyl]amino}-2H-chromen-2-one
| Molecular Formula | C16H9F3N2O4 |
|---|---|
| Molecular Weight | 350.05 g/mol |
| LogP | 4.4636 |
| Topological Polar Surface Area | 85.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.05145 |
| Heavy Atoms | 25 |
| Complexity | 1027.799 |
Chemical Identifiers
| CAS Number | 738592-87-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one (CAS 738592-87-5), with molecular formula C16H9F3N2O4 and molecular weight 350.05 g/mol. IUPAC: 3-nitro-4-[3-(trifluoromethyl)anilino]chromen-2-one.
Chemical Property Profile of 3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one
Property Insights of 3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one
The XLogP value of 4.4636 indicates that 3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one. Following Lipinski's Rule of Five, 3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one has 1 hydrogen bond donor(s) and 5 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 3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one?
The CAS number of 3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one is 738592-87-5.
What is the molecular formula of 3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one?
The molecular formula of 3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one is C16H9F3N2O4.
What is the molecular weight of 3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one?
The molecular weight of 3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one is 350.05 g/mol.
Where can I buy 3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one?
You can request a quote for 3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-nitro-4-((3-(trifluoromethyl)phenyl)amino)-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.