6-Methyl-2-(trifluoromethyl)chromen-4-one
TL;DR: 6-Methyl-2-(trifluoromethyl)chromen-4-one (CAS 579-00-0) is a chemical compound with molecular formula C11H7F3O2 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-(trifluoromethyl)chromen-4-one
Also Known As: 6-methyl-2-(trifluoromethyl)chromen-4-one, 6-methyl-2-(trifluoromethyl)-4H-chromen-4-one, 6-methyl-2-(trifluoromethyl)chromone, MixCom6_000919, DivK1c_005351
| Molecular Formula | C11H7F3O2 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 228.03981 |
| Heavy Atoms | 16 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 579-00-0 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)OC(=CC2=O)C(F)(F)F |
| InChIKey | WYMTYLOCOXMWIO-UHFFFAOYSA-N |
Product Overview
6-Methyl-2-(trifluoromethyl)chromen-4-one (CAS 579-00-0), with molecular formula C11H7F3O2 and molecular weight 228.04 g/mol. IUPAC: 6-methyl-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of 6-Methyl-2-(trifluoromethyl)chromen-4-one
Property Insights of 6-Methyl-2-(trifluoromethyl)chromen-4-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-2-(trifluoromethyl)chromen-4-one. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Methyl-2-(trifluoromethyl)chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-2-(trifluoromethyl)chromen-4-one has 0 hydrogen bond donor(s) and 5 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 6-Methyl-2-(trifluoromethyl)chromen-4-one?
The CAS number of 6-Methyl-2-(trifluoromethyl)chromen-4-one is 579-00-0.
What is the molecular formula of 6-Methyl-2-(trifluoromethyl)chromen-4-one?
The molecular formula of 6-Methyl-2-(trifluoromethyl)chromen-4-one is C11H7F3O2.
What is the molecular weight of 6-Methyl-2-(trifluoromethyl)chromen-4-one?
The molecular weight of 6-Methyl-2-(trifluoromethyl)chromen-4-one is 228.04 g/mol.
Where can I buy 6-Methyl-2-(trifluoromethyl)chromen-4-one?
You can request a quote for 6-Methyl-2-(trifluoromethyl)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 6-Methyl-2-(trifluoromethyl)chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6-Methyl-2-(trifluoromethyl)chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.