7-Ethoxy-4-trifluoromethylcoumarin
TL;DR: 7-Ethoxy-4-trifluoromethylcoumarin (CAS 115453-82-2) is a chemical compound with molecular formula C12H9F3O3 and molecular weight 258.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethoxy-4-(trifluoromethyl)chromen-2-one
Also Known As: 7-Ethoxy-4-(trifluoromethyl)coumarin, Etfc cpd, 7-Ethoxy-4-trifluoromethylcoumarin, 7-ethoxy-4-(trifluoromethyl)chromen-2-one, 7-ethoxy-4-(trifluoromethyl)-2H-chromen-2-one
| Molecular Formula | C12H9F3O3 |
|---|---|
| Molecular Weight | 258.05 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.05038 |
| Heavy Atoms | 18 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 115453-82-2 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C(F)(F)F |
| InChIKey | OLHOIERZAZMHGK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Ethoxy-4-trifluoromethylcoumarin (CAS 115453-82-2), with molecular formula C12H9F3O3 and molecular weight 258.05 g/mol. IUPAC: 7-ethoxy-4-(trifluoromethyl)chromen-2-one.
Chemical Property Profile of 7-Ethoxy-4-trifluoromethylcoumarin
Property Insights of 7-Ethoxy-4-trifluoromethylcoumarin
The XLogP value of 3.1 indicates that 7-Ethoxy-4-trifluoromethylcoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 7-Ethoxy-4-trifluoromethylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Ethoxy-4-trifluoromethylcoumarin has 0 hydrogen bond donor(s) and 6 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-Ethoxy-4-trifluoromethylcoumarin?
The CAS number of 7-Ethoxy-4-trifluoromethylcoumarin is 115453-82-2.
What is the molecular formula of 7-Ethoxy-4-trifluoromethylcoumarin?
The molecular formula of 7-Ethoxy-4-trifluoromethylcoumarin is C12H9F3O3.
What is the molecular weight of 7-Ethoxy-4-trifluoromethylcoumarin?
The molecular weight of 7-Ethoxy-4-trifluoromethylcoumarin is 258.05 g/mol.
Where can I buy 7-Ethoxy-4-trifluoromethylcoumarin?
You can request a quote for 7-Ethoxy-4-trifluoromethylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Ethoxy-4-trifluoromethylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-Ethoxy-4-trifluoromethylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.