7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin
TL;DR: 7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin (CAS 136514-17-5) is a chemical compound with molecular formula C16H9F3O3 and molecular weight 306.05038 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-hydroxy-4-[3-(trifluoromethyl)phenyl]chromen-2-one
Also Known As: 7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin, SolventBlue4, 2,3,6-Trifluorobenzonitrile, 7-Hydroxy-4-(3-(trifluoromethyl)phenyl)-2H-chromen-2-one, 7-HYDROXY-4- COUMARIN
Technical Specifications
| Molecular Formula | C16H9F3O3 |
| Molecular Weight | 306.05038 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.05038 Da |
| Heavy Atoms | 22 |
| Complexity | 472.0 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=CC(=O)OC3=C2C=CC(=C3)O |
| InChIKey | VWKFVRVGEBQAQP-UHFFFAOYSA-N |
Chemical Property Profile of 7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin
Property Insights of 7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin
The XLogP value of 4.0 indicates that 7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin?
The CAS number of 7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin is 136514-17-5.
What is the molecular formula of 7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin?
The molecular formula of 7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin is C16H9F3O3.
What is the molecular weight of 7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin?
The molecular weight of 7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin is 306.05038 g/mol.
Where can I buy 7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin?
You can request a quote for 7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin?
Yes, CoreyChem provides custom synthesis services for 7-Hydroxy-4-(3-trifluoromethylphenyl)coumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.