![1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one structure](/static/products/5973/59733-97-0.webp)
1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one
TL;DR: 1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one (CAS 59733-97-0) is a chemical compound with molecular formula C16H13F3N2O3 and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one
Also Known As: KST-1B6044, BIM-0048566.P001, 1-(4-nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one, 1-(4-nitrophenyl)-3-{[3-(trifluoromethyl)phenyl]amino}-1-propanone, 1-(4-nitrophenyl)-3-{[3-(trifluoromethyl)phenyl]amino}propan-1-one
| Molecular Formula | C16H13F3N2O3 |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 4.2985 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.08783 |
| Heavy Atoms | 24 |
| Complexity | 742.978 |
Chemical Identifiers
| CAS Number | 59733-97-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NCCC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(F)(F)F |
Product Overview
1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one (CAS 59733-97-0), with molecular formula C16H13F3N2O3 and molecular weight 338.09 g/mol. IUPAC: 1-(4-nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one.
Chemical Property Profile of 1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one
Property Insights of 1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one
The XLogP value of 4.2985 indicates that 1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-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 1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one. Following Lipinski's Rule of Five, 1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-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 1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one?
The CAS number of 1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one is 59733-97-0.
What is the molecular formula of 1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one?
The molecular formula of 1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one is C16H13F3N2O3.
What is the molecular weight of 1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one?
The molecular weight of 1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one is 338.09 g/mol.
Where can I buy 1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one?
You can request a quote for 1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Nitrophenyl)-3-[3-(trifluoromethyl)anilino]propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.