![5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate structure](/static/products/7061/7061-63-4.webp)
5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate
TL;DR: 5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate (CAS 7061-63-4) 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.
(5-methyl-2-propan-2-ylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate
Also Known As: 5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate, (5-methyl-2-propan-2-ylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate, (5-methyl-2-propan-2-yl-phenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate
| Molecular Formula | C19H18F3NO7S2 |
|---|---|
| Molecular Weight | 493.05 g/mol |
| LogP | 4.03332 |
| Topological Polar Surface Area | 120.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 493.04767 |
| Heavy Atoms | 32 |
| Complexity | 1191.8928 |
Chemical Identifiers
| CAS Number | 7061-63-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC(=O)CS(=O)C2=C(C=C(C=C2)S(=O)(=O)C(F)(F)F)[N+](=O)[O-] |
Product Overview
5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate (CAS 7061-63-4), with molecular formula C19H18F3NO7S2 and molecular weight 493.05 g/mol. IUPAC: (5-methyl-2-propan-2-ylphenyl) 2-[2-nitro-4-(trifluoromethylsulfonyl)phenyl]sulfinylacetate.
Chemical Property Profile of 5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate
Property Insights of 5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate
The XLogP value of 4.03332 indicates that 5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate 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 5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate. Following Lipinski's Rule of Five, 5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate 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 5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate?
The CAS number of 5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate is 7061-63-4.
What is the molecular formula of 5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate?
The molecular formula of 5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate is C19H18F3NO7S2.
What is the molecular weight of 5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate?
The molecular weight of 5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate is 493.05 g/mol.
Where can I buy 5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate?
You can request a quote for 5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-(propan-2-yl)phenyl [2-nitro-4-(trifluoromethanesulfonyl)benzene-1-sulfinyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.