![2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate structure](/static/products/6845/6845-49-4.webp)
2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate
TL;DR: 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate (CAS 6845-49-4) is a chemical compound with molecular formula C9H5F3NO5S- and molecular weight 295.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate
Also Known As: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate, [2-Nitro-4-(trifluoromethyl)benzene-1-sulfinyl]acetate
| Molecular Formula | C9H5F3NO5S- |
|---|---|
| Molecular Weight | 295.98 g/mol |
| LogP | 0.4711 |
| Topological Polar Surface Area | 100.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.98404 |
| Heavy Atoms | 19 |
| Complexity | 557.2763 |
Chemical Identifiers
| CAS Number | 6845-49-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])S(=O)CC(=O)[O-] |
Product Overview
2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate (CAS 6845-49-4), with molecular formula C9H5F3NO5S- and molecular weight 295.98 g/mol. IUPAC: 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate.
Chemical Property Profile of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate
Property Insights of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate
The XLogP value of 0.4711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate. The TPSA of 100.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate. Following Lipinski's Rule of Five, 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate 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 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate?
The CAS number of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate is 6845-49-4.
What is the molecular formula of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate?
The molecular formula of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate is C9H5F3NO5S-.
What is the molecular weight of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate?
The molecular weight of 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate is 295.98 g/mol.
Where can I buy 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate?
You can request a quote for 2-[2-Nitro-4-(trifluoromethyl)phenyl]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-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[2-Nitro-4-(trifluoromethyl)phenyl]sulfinylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.