3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate
TL;DR: 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate (CAS 848680-20-6) is a chemical compound with molecular formula C18H10ClF3O4 and molecular weight 382.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate
Also Known As: 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate, AB01289393-01, [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate, F3385-1018, 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl acetate
| Molecular Formula | C18H10ClF3O4 |
|---|---|
| Molecular Weight | 382.02 g/mol |
| LogP | 5.0575 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 382.02197 |
| Heavy Atoms | 26 |
| Complexity | 1052.9497 |
Chemical Identifiers
| CAS Number | 848680-20-6 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=C(O2)C(F)(F)F)C3=CC=C(C=C3)Cl |
Product Overview
3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate (CAS 848680-20-6), with molecular formula C18H10ClF3O4 and molecular weight 382.02 g/mol. IUPAC: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] acetate.
Chemical Property Profile of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate
Property Insights of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate
The XLogP value of 5.0575 indicates that 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
The CAS number of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate is 848680-20-6.
What is the molecular formula of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
The molecular formula of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate is C18H10ClF3O4.
What is the molecular weight of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
The molecular weight of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate is 382.02 g/mol.
Where can I buy 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
You can request a quote for 3-(4-chlorophenyl)-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-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.