4-Methylphenyl trifluoromethyl sulphoxide
TL;DR: 4-Methylphenyl trifluoromethyl sulphoxide (CAS 2189-43-7) is a chemical compound with molecular formula C8H7F3OS and molecular weight 208.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-(trifluoromethylsulfinyl)benzene
Also Known As: 4-Methylphenyl trifluoromethyl sulphoxide, 1-methyl-4-(trifluoromethylsulfinyl)benzene, BAS 00248768, 4-Methylphenyl(trifluoromethyl) sulfoxide, Trifluoromethyl(4-methylphenyl) sulfoxide
| Molecular Formula | C8H7F3OS |
|---|---|
| Molecular Weight | 208.02 g/mol |
| LogP | 2.62242 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.01697 |
| Heavy Atoms | 13 |
| Complexity | 315.1562 |
Chemical Identifiers
| CAS Number | 2189-43-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)C(F)(F)F |
Product Overview
4-Methylphenyl trifluoromethyl sulphoxide (CAS 2189-43-7), with molecular formula C8H7F3OS and molecular weight 208.02 g/mol. IUPAC: 1-methyl-4-(trifluoromethylsulfinyl)benzene.
Chemical Property Profile of 4-Methylphenyl trifluoromethyl sulphoxide
Property Insights of 4-Methylphenyl trifluoromethyl sulphoxide
The XLogP value of 2.62242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylphenyl trifluoromethyl sulphoxide. With a topological polar surface area (TPSA) of 17.07 Ų, 4-Methylphenyl trifluoromethyl sulphoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenyl trifluoromethyl sulphoxide has 0 hydrogen bond donor(s) and 1 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-Methylphenyl trifluoromethyl sulphoxide?
The CAS number of 4-Methylphenyl trifluoromethyl sulphoxide is 2189-43-7.
What is the molecular formula of 4-Methylphenyl trifluoromethyl sulphoxide?
The molecular formula of 4-Methylphenyl trifluoromethyl sulphoxide is C8H7F3OS.
What is the molecular weight of 4-Methylphenyl trifluoromethyl sulphoxide?
The molecular weight of 4-Methylphenyl trifluoromethyl sulphoxide is 208.02 g/mol.
Where can I buy 4-Methylphenyl trifluoromethyl sulphoxide?
You can request a quote for 4-Methylphenyl trifluoromethyl sulphoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylphenyl trifluoromethyl sulphoxide?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylphenyl trifluoromethyl sulphoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.