2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one
TL;DR: 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one (CAS 78605-60-4) is a chemical compound with molecular formula C10H7F3O3 and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-(trifluoromethyl)-3H-chromen-4-one
Also Known As: 2-hydroxy-2-(trifluoromethyl)-3H-chromen-4-one, 2-Hydroxy-2-(trifluoromethyl)chroman-4-one, 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one, 2-hydroxy-2-trifluoromethylchroman-4-one, 2-hydroxy-2-(trifluoromethyl)-3,4-dihydro-2H-1-benzopyran-4-one
| Molecular Formula | C10H7F3O3 |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 1.9027 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 232.03473 |
| Heavy Atoms | 16 |
| Complexity | 441.18054 |
Chemical Identifiers
| CAS Number | 78605-60-4 |
|---|---|
| SMILES | C1C(=O)C2=CC=CC=C2OC1(C(F)(F)F)O |
Product Overview
2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one (CAS 78605-60-4), with molecular formula C10H7F3O3 and molecular weight 232.03 g/mol. IUPAC: 2-hydroxy-2-(trifluoromethyl)-3H-chromen-4-one.
Chemical Property Profile of 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one
Property Insights of 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one
The XLogP value of 1.9027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one. With a topological polar surface area (TPSA) of 46.53 Ų, 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one has 1 hydrogen bond donor(s) and 3 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 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one?
The CAS number of 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one is 78605-60-4.
What is the molecular formula of 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one?
The molecular formula of 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one is C10H7F3O3.
What is the molecular weight of 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one?
The molecular weight of 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one is 232.03 g/mol.
Where can I buy 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one?
You can request a quote for 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-hydroxy-2-(trifluoromethyl)-2,3-dihydro-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.