![(4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate structure](/static/products/7061/7061-62-3.webp)
(4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate
TL;DR: (4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate (CAS 7061-62-3) is a chemical compound with molecular formula C19H18F3NO7S2 and molecular weight 493.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate
Also Known As: (4-butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate, 4-Butylphenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate
| Molecular Formula | C19H18F3NO7S2 |
|---|---|
| Molecular Weight | 493.05 g/mol |
| LogP | 3.9441 |
| Topological Polar Surface Area | 120.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 493.04767 |
| Heavy Atoms | 32 |
| Complexity | 1130.6006 |
Chemical Identifiers
| CAS Number | 7061-62-3 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)OC(=O)CS(=O)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-] |
Product Overview
(4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate (CAS 7061-62-3), with molecular formula C19H18F3NO7S2 and molecular weight 493.05 g/mol. IUPAC: (4-butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate.
Chemical Property Profile of (4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate
Property Insights of (4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate
The XLogP value of 3.9441 indicates that (4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.65 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate. Following Lipinski's Rule of Five, (4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]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 (4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate?
The CAS number of (4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate is 7061-62-3.
What is the molecular formula of (4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate?
The molecular formula of (4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate is C19H18F3NO7S2.
What is the molecular weight of (4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate?
The molecular weight of (4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate is 493.05 g/mol.
Where can I buy (4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate?
You can request a quote for (4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Butylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.