2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate
TL;DR: 2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate (CAS 478785-83-0) is a chemical compound with molecular formula C11H10F3NO7S2 and molecular weight 388.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate
Also Known As: 2,2,2-trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate, 2,2,2-trifluoroethyl 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylacetate
| Molecular Formula | C11H10F3NO7S2 |
|---|---|
| Molecular Weight | 388.99 g/mol |
| LogP | 1.2114 |
| Topological Polar Surface Area | 120.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 388.98508 |
| Heavy Atoms | 24 |
| Complexity | 789.2973 |
Chemical Identifiers
| CAS Number | 478785-83-0 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OCC(F)(F)F)[N+](=O)[O-] |
Product Overview
2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate (CAS 478785-83-0), with molecular formula C11H10F3NO7S2 and molecular weight 388.99 g/mol. IUPAC: 2,2,2-trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate.
Chemical Property Profile of 2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate
Property Insights of 2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate
The XLogP value of 1.2114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate. The TPSA of 120.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate. Following Lipinski's Rule of Five, 2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate has 0 hydrogen bond donor(s) and 7 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 2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate?
The CAS number of 2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate is 478785-83-0.
What is the molecular formula of 2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate?
The molecular formula of 2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate is C11H10F3NO7S2.
What is the molecular weight of 2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate?
The molecular weight of 2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate is 388.99 g/mol.
Where can I buy 2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate?
You can request a quote for 2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trifluoroethyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.