3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate
TL;DR: 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate (CAS 369394-36-5) is a chemical compound with molecular formula C24H14ClF3O4 and molecular weight 458.05 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] 4-methylbenzoate
Also Known As: 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate, 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl 4-methylbenzoate, [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate
| Molecular Formula | C24H14ClF3O4 |
|---|---|
| Molecular Weight | 458.05 g/mol |
| LogP | 6.65982 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.05328 |
| Heavy Atoms | 32 |
| Complexity | 1372.2716 |
Chemical Identifiers
| CAS Number | 369394-36-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=C(O3)C(F)(F)F)C4=CC=C(C=C4)Cl |
Product Overview
3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate (CAS 369394-36-5), with molecular formula C24H14ClF3O4 and molecular weight 458.05 g/mol. IUPAC: [3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)chromen-7-yl] 4-methylbenzoate.
Chemical Property Profile of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate
Property Insights of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate
The XLogP value of 6.65982 indicates that 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate 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 4-methylbenzoate 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 4-methylbenzoate 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 4-methylbenzoate?
The CAS number of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate is 369394-36-5.
What is the molecular formula of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate?
The molecular formula of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate is C24H14ClF3O4.
What is the molecular weight of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate?
The molecular weight of 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate is 458.05 g/mol.
Where can I buy 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate?
You can request a quote for 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate 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 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.