![Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate structure](/static/products/955/955964-48-4.png)
Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate
TL;DR: Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate (CAS 955964-48-4) is a chemical compound with molecular formula C16H12F3NO5S and molecular weight 387.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate
Also Known As: AS-871/41622296, benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate, Benzyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate, benzyl 2-((2-nitro-4-(trifluoromethyl)phenyl)sulfinyl)acetate, phenylmethyl 2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate
| Molecular Formula | C16H12F3NO5S |
|---|---|
| Molecular Weight | 387.04 g/mol |
| LogP | 3.4646 |
| Topological Polar Surface Area | 86.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.03882 |
| Heavy Atoms | 26 |
| Complexity | 839.524 |
Chemical Identifiers
| CAS Number | 955964-48-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CS(=O)C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate (CAS 955964-48-4), with molecular formula C16H12F3NO5S and molecular weight 387.04 g/mol. IUPAC: benzyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfinylacetate.
Chemical Property Profile of Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate
Property Insights of Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate
The XLogP value of 3.4646 indicates that Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.51 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate. Following Lipinski's Rule of Five, Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate 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 Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate?
The CAS number of Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate is 955964-48-4.
What is the molecular formula of Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate?
The molecular formula of Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate is C16H12F3NO5S.
What is the molecular weight of Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate?
The molecular weight of Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate is 387.04 g/mol.
Where can I buy Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate?
You can request a quote for Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfinyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.