![4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate structure](/static/products/7061/7061-59-8.webp)
4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate
TL;DR: 4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate (CAS 7061-59-8) is a chemical compound with molecular formula C17H15NO8S2 and molecular weight 425.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-acetylphenyl) 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate
Also Known As: 4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate, (4-acetylphenyl) 2-(4-methylsulfonyl-2-nitro-phenyl)sulfinylacetate, (4-acetylphenyl) 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate
| Molecular Formula | C17H15NO8S2 |
|---|---|
| Molecular Weight | 425.02 g/mol |
| LogP | 1.9141 |
| Topological Polar Surface Area | 137.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.0239 |
| Heavy Atoms | 28 |
| Complexity | 1074.8363 |
Chemical Identifiers
| CAS Number | 7061-59-8 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)OC(=O)CS(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-] |
Product Overview
4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate (CAS 7061-59-8), with molecular formula C17H15NO8S2 and molecular weight 425.02 g/mol. IUPAC: (4-acetylphenyl) 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate.
Chemical Property Profile of 4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate
Property Insights of 4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate
The XLogP value of 1.9141 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate. The TPSA of 137.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate. Following Lipinski's Rule of Five, 4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate has 0 hydrogen bond donor(s) and 8 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-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate?
The CAS number of 4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate is 7061-59-8.
What is the molecular formula of 4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate?
The molecular formula of 4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate is C17H15NO8S2.
What is the molecular weight of 4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate?
The molecular weight of 4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate is 425.02 g/mol.
Where can I buy 4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate?
You can request a quote for 4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-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 4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylphenyl [4-(methanesulfonyl)-2-nitrobenzene-1-sulfinyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.