4-Trifluoromethylcoumarin phosphate
TL;DR: 4-Trifluoromethylcoumarin phosphate (CAS 122018-93-3) is a chemical compound with molecular formula C10H6F3O6P and molecular weight 309.9854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-oxo-4-(trifluoromethyl)chromen-7-yl] dihydrogen phosphate
Also Known As: HFCP, Fragment compound, 1, 4-Trifluoromethylcoumarin phosphate, 4-trifluoromethylumbelliferyl phosphate, J1.718.027D
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H6F3O6P |
| Molecular Weight | 309.9854 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.9854 Da |
| Heavy Atoms | 20 |
| Complexity | 482.0 |
| SMILES | C1=CC2=C(C=C1OP(=O)(O)O)OC(=O)C=C2C(F)(F)F |
| InChIKey | ZXSQZYGFCBGKMY-UHFFFAOYSA-N |
Chemical Property Profile of 4-Trifluoromethylcoumarin phosphate
Property Insights of 4-Trifluoromethylcoumarin phosphate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Trifluoromethylcoumarin phosphate. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Trifluoromethylcoumarin phosphate. Following Lipinski's Rule of Five, 4-Trifluoromethylcoumarin phosphate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Trifluoromethylcoumarin phosphate?
The CAS number of 4-Trifluoromethylcoumarin phosphate is 122018-93-3.
What is the molecular formula of 4-Trifluoromethylcoumarin phosphate?
The molecular formula of 4-Trifluoromethylcoumarin phosphate is C10H6F3O6P.
What is the molecular weight of 4-Trifluoromethylcoumarin phosphate?
The molecular weight of 4-Trifluoromethylcoumarin phosphate is 309.9854 g/mol.
Where can I buy 4-Trifluoromethylcoumarin phosphate?
You can request a quote for 4-Trifluoromethylcoumarin phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Trifluoromethylcoumarin phosphate?
Yes, CoreyChem provides custom synthesis services for 4-Trifluoromethylcoumarin phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.