Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-
TL;DR: Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- (CAS 35443-89-1) is a chemical compound with molecular formula C11H5F6NO3 and molecular weight 313.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-1-(2-nitrophenyl)-3-(trifluoromethyl)but-2-en-1-one
Also Known As: 2'-Nitro-4,4,4-trifluoro-3-trifluoromethylcrotonophenone, CROTONOPHENONE, 2'-NITRO-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)-, 1-(o-Nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-one, 4,4,4-trifluoro-1-(2-nitrophenyl)-3-(trifluoromethyl)but-2-en-1-one, 2'-Nitro-4,4,4-trifluoro-3-(trifluoromethyl)-crotonophenone
| Molecular Formula | C11H5F6NO3 |
|---|---|
| Molecular Weight | 313.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.01736 |
| Heavy Atoms | 21 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 35443-89-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)C=C(C(F)(F)F)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | NLAMONODKVNOSH-UHFFFAOYSA-N |
Product Overview
Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- (CAS 35443-89-1), with molecular formula C11H5F6NO3 and molecular weight 313.02 g/mol. IUPAC: 4,4,4-trifluoro-1-(2-nitrophenyl)-3-(trifluoromethyl)but-2-en-1-one.
Chemical Property Profile of Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-
Property Insights of Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-
The XLogP value of 3.8 indicates that Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-. Following Lipinski's Rule of Five, Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- has 0 hydrogen bond donor(s) and 9 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 Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-?
The CAS number of Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- is 35443-89-1.
What is the molecular formula of Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-?
The molecular formula of Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- is C11H5F6NO3.
What is the molecular weight of Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-?
The molecular weight of Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- is 313.02 g/mol.
Where can I buy Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-?
You can request a quote for Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-?
Yes, KEHONG BIO provides custom synthesis services for Crotonophenone, 2'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.