1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one
TL;DR: 1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one (CAS 425391-02-2) is a chemical compound with molecular formula C10H6F3NO4 and molecular weight 261.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one
Also Known As: 1,1,1-trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one, 4,4,4-Trifluoro-3-hydroxy-1-(4-nitrophenyl)but-2-en-1-one
| Molecular Formula | C10H6F3NO4 |
|---|---|
| Molecular Weight | 261.02 g/mol |
| LogP | 2.6251 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.0249 |
| Heavy Atoms | 18 |
| Complexity | 504.84924 |
Chemical Identifiers
| CAS Number | 425391-02-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=CC(=O)C(F)(F)F)O)[N+](=O)[O-] |
Product Overview
1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one (CAS 425391-02-2), with molecular formula C10H6F3NO4 and molecular weight 261.02 g/mol. IUPAC: 1,1,1-trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one.
Chemical Property Profile of 1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one
Property Insights of 1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one
The XLogP value of 2.6251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-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 1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one?
The CAS number of 1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one is 425391-02-2.
What is the molecular formula of 1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one?
The molecular formula of 1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one is C10H6F3NO4.
What is the molecular weight of 1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one?
The molecular weight of 1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one is 261.02 g/mol.
Where can I buy 1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one?
You can request a quote for 1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-4-hydroxy-4-(4-nitrophenyl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.