3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate
TL;DR: 3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate (CAS 303095-11-6) is a chemical compound with molecular formula C18H10F3NO7 and molecular weight 409.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate
Also Known As: 3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate, [3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] Acetate, 683-991-8, RefChem:493360
| Molecular Formula | C18H10F3NO7 |
|---|---|
| Molecular Weight | 409.04 g/mol |
| LogP | 4.4376 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.04092 |
| Heavy Atoms | 29 |
| Complexity | 1167.0188 |
Chemical Identifiers
| CAS Number | 303095-11-6 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate (CAS 303095-11-6), with molecular formula C18H10F3NO7 and molecular weight 409.04 g/mol. IUPAC: [3-(4-nitrophenoxy)-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate.
Chemical Property Profile of 3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate
Property Insights of 3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate
The XLogP value of 4.4376 indicates that 3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate. Following Lipinski's Rule of Five, 3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate has 0 hydrogen bond donor(s) and 7 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 3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate?
The CAS number of 3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate is 303095-11-6.
What is the molecular formula of 3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate?
The molecular formula of 3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate is C18H10F3NO7.
What is the molecular weight of 3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate?
The molecular weight of 3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate is 409.04 g/mol.
Where can I buy 3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate?
You can request a quote for 3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Nitrophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-YL acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.