4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one
TL;DR: 4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one (CAS 339100-24-2) 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.
4-(dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one
Also Known As: 4-(dimethylamino)-1,1,1-trifluoro-3-(1-nitro-2-naphthyl)-3-buten-2-one, 4-dimethylamino-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one, 4-(dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one
| Molecular Formula | C16H13F3N2O3 |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 3.7819 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.08783 |
| Heavy Atoms | 24 |
| Complexity | 842.0668 |
Chemical Identifiers
| CAS Number | 339100-24-2 |
|---|---|
| SMILES | CN(C)C=C(C1=C(C2=CC=CC=C2C=C1)[N+](=O)[O-])C(=O)C(F)(F)F |
Product Overview
4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one (CAS 339100-24-2), with molecular formula C16H13F3N2O3 and molecular weight 338.09 g/mol. IUPAC: 4-(dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one.
Chemical Property Profile of 4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one
Property Insights of 4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one
The XLogP value of 3.7819 indicates that 4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one. Following Lipinski's Rule of Five, 4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one has 0 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 4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one?
The CAS number of 4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one is 339100-24-2.
What is the molecular formula of 4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one?
The molecular formula of 4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one is C16H13F3N2O3.
What is the molecular weight of 4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one?
The molecular weight of 4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one is 338.09 g/mol.
Where can I buy 4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one?
You can request a quote for 4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)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 4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)-1,1,1-trifluoro-3-(1-nitronaphthalen-2-yl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.