4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone
TL;DR: 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone (CAS 845823-11-2) is a chemical compound with molecular formula C10H9F3O2 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoro-1-(4-methoxy-2-methylphenyl)ethanone
Also Known As: 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone, 2,2,2-trifluoro-1-(4-methoxy-2-methylphenyl)ethanone, 2,2,2-TRIFLUORO-1-(4-METHOXY-2-METHYLPHENYL)ETHAN-1-ONE, 2,2,2-trifluoro-1-(4-methoxy-2-methyl-phenyl)-ethanone, 2,2,2-trifluoro-1-(4-methoxy-2-methyl-phenyl)ethanone
| Molecular Formula | C10H9F3O2 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.74862 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.05547 |
| Heavy Atoms | 15 |
| Complexity | 382.74417 |
Chemical Identifiers
| CAS Number | 845823-11-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)OC)C(=O)C(F)(F)F |
Product Overview
4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone (CAS 845823-11-2), with molecular formula C10H9F3O2 and molecular weight 218.06 g/mol. IUPAC: 2,2,2-trifluoro-1-(4-methoxy-2-methylphenyl)ethanone.
Chemical Property Profile of 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone
Property Insights of 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone
The XLogP value of 2.74862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone. With a topological polar surface area (TPSA) of 26.3 Ų, 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone has 0 hydrogen bond donor(s) and 2 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 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone?
The CAS number of 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone is 845823-11-2.
What is the molecular formula of 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone?
The molecular formula of 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone is C10H9F3O2.
What is the molecular weight of 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone?
The molecular weight of 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone is 218.06 g/mol.
Where can I buy 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone?
You can request a quote for 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Methoxy-2'-methyl-2,2,2-trifluoroacetophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.