6,7-Dimethoxy-4-(trifluoromethyl)coumarin
TL;DR: 6,7-Dimethoxy-4-(trifluoromethyl)coumarin (CAS 151625-32-0) is a chemical compound with molecular formula C12H9F3O4 and molecular weight 274.0453 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dimethoxy-4-(trifluoromethyl)chromen-2-one
Also Known As: 6,7-Dimethoxy-4-(trifluoromethyl)coumarin, 6,7-dimethoxy-4-(trifluoromethyl)chromen-2-one, 6,7-dimethoxy-4-(trifluoromethyl)-2H-chromen-2-one, 4-(Trifluoromethyl)-6,7-dimethoxycoumarin, 6,7-dimethoxy-4-(trifluoromethyl) coumarin
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H9F3O4 |
| Molecular Weight | 274.0453 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 274.0453 Da |
| Heavy Atoms | 19 |
| Complexity | 391.0 |
| SMILES | COC1=C(C=C2C(=C1)C(=CC(=O)O2)C(F)(F)F)OC |
| InChIKey | AUGARPZCYVFAFI-UHFFFAOYSA-N |
Chemical Property Profile of 6,7-Dimethoxy-4-(trifluoromethyl)coumarin
Property Insights of 6,7-Dimethoxy-4-(trifluoromethyl)coumarin
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dimethoxy-4-(trifluoromethyl)coumarin. With a topological polar surface area (TPSA) of 44.8 Ų, 6,7-Dimethoxy-4-(trifluoromethyl)coumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dimethoxy-4-(trifluoromethyl)coumarin 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
What is the CAS number of 6,7-Dimethoxy-4-(trifluoromethyl)coumarin?
The CAS number of 6,7-Dimethoxy-4-(trifluoromethyl)coumarin is 151625-32-0.
What is the molecular formula of 6,7-Dimethoxy-4-(trifluoromethyl)coumarin?
The molecular formula of 6,7-Dimethoxy-4-(trifluoromethyl)coumarin is C12H9F3O4.
What is the molecular weight of 6,7-Dimethoxy-4-(trifluoromethyl)coumarin?
The molecular weight of 6,7-Dimethoxy-4-(trifluoromethyl)coumarin is 274.0453 g/mol.
Where can I buy 6,7-Dimethoxy-4-(trifluoromethyl)coumarin?
You can request a quote for 6,7-Dimethoxy-4-(trifluoromethyl)coumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6,7-Dimethoxy-4-(trifluoromethyl)coumarin?
Yes, CoreyChem provides custom synthesis services for 6,7-Dimethoxy-4-(trifluoromethyl)coumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.