7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate
TL;DR: 7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate (CAS 303104-79-2) is a chemical compound with molecular formula C20H13F3O7 and molecular weight 422.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[8-acetyloxy-4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] acetate
Also Known As: 4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromene-7,8-diyl diacetate, 7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate, [8-acetyloxy-4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] Acetate
| Molecular Formula | C20H13F3O7 |
|---|---|
| Molecular Weight | 422.06 g/mol |
| LogP | 4.4547 |
| Topological Polar Surface Area | 92.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.06134 |
| Heavy Atoms | 30 |
| Complexity | 1180.9548 |
Chemical Identifiers
| CAS Number | 303104-79-2 |
|---|---|
| SMILES | CC(=O)OC1=C(C2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)OC3=CC=CC=C3)OC(=O)C |
Product Overview
7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate (CAS 303104-79-2), with molecular formula C20H13F3O7 and molecular weight 422.06 g/mol. IUPAC: [8-acetyloxy-4-oxo-3-phenoxy-2-(trifluoromethyl)chromen-7-yl] acetate.
Chemical Property Profile of 7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate
Property Insights of 7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate
The XLogP value of 4.4547 indicates that 7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate. Following Lipinski's Rule of Five, 7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-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 7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate?
The CAS number of 7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate is 303104-79-2.
What is the molecular formula of 7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate?
The molecular formula of 7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate is C20H13F3O7.
What is the molecular weight of 7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate?
The molecular weight of 7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate is 422.06 g/mol.
Where can I buy 7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate?
You can request a quote for 7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 7-(acetyloxy)-4-oxo-3-phenoxy-2-(trifluoromethyl)-4H-chromen-8-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.