Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate
TL;DR: Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate (CAS 143502-48-1) is a chemical compound with molecular formula C15H9ClF3NO5S and molecular weight 406.9842 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-[2-chloro-4-(trifluoromethyl)phenyl]sulfinyl-2-nitrobenzoate
Also Known As: RH-8827 DIPHENYL SULFOXIDE, Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate, Methyl 5-[2-chloro-4-(trifluoromethyl)benzene-1-sulfinyl]-2-nitrobenzoate, methyl 5-[2-chloro-4-(trifluoromethyl)benzenesulfinyl]-2-nitrobenzoate, Methyl 5-[2-chloro-4-(trifluoromethyl)phenyl]sulfinyl-2-nitro-benzoate
Technical Specifications
| Molecular Formula | C15H9ClF3NO5S |
| Molecular Weight | 406.9842 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.9842 Da |
| Heavy Atoms | 26 |
| Complexity | 570.0 |
| SMILES | COC(=O)C1=C(C=CC(=C1)S(=O)C2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
| InChIKey | NEUQQLHYZBGHPU-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate
Property Insights of Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate
The XLogP value of 3.9 indicates that Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate has 0 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 Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate?
The CAS number of Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate is 143502-48-1.
What is the molecular formula of Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate?
The molecular formula of Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate is C15H9ClF3NO5S.
What is the molecular weight of Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate?
The molecular weight of Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate is 406.9842 g/mol.
Where can I buy Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate?
You can request a quote for Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 5-(2-chloro-4-(trifluoromethyl)phenyl)sulfinyl-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.