1-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone
TL;DR: 1-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone (CAS 477334-29-5) 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-(3-nitrophenyl)-3-[4-(trifluoromethyl)anilino]propan-1-one
Also Known As: 1-(3-nitrophenyl)-3-[4-(trifluoromethyl)anilino]-1-propanone, 1-(3-Nitrophenyl)-3-((4-(trifluoromethyl)phenyl)amino)propan-1-one, 1-(3-nitrophenyl)-3-[4-(trifluoromethyl)anilino]propan-1-one, 1-(3-NITROPHENYL)-3-(4-(TRIFLUOROMETHYL)ANILINO)-1-PROPANONE, 1-(3-nitrophenyl)-3-[[4-(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 | 477334-29-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CCNC2=CC=C(C=C2)C(F)(F)F |
Product Overview
1-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone (CAS 477334-29-5), with molecular formula C16H13F3N2O3 and molecular weight 338.09 g/mol. IUPAC: 1-(3-nitrophenyl)-3-[4-(trifluoromethyl)anilino]propan-1-one.
Chemical Property Profile of 1-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone
Property Insights of 1-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone
The XLogP value of 4.2985 indicates that 1-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone 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-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone. Following Lipinski's Rule of Five, 1-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone 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-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone?
The CAS number of 1-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone is 477334-29-5.
What is the molecular formula of 1-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone?
The molecular formula of 1-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone is C16H13F3N2O3.
What is the molecular weight of 1-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone?
The molecular weight of 1-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone is 338.09 g/mol.
Where can I buy 1-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone?
You can request a quote for 1-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitrophenyl)-3-(4-(trifluoromethyl)anilino)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.