![4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate structure](/static/products/957/957481-29-7.png)
4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate
TL;DR: 4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate (CAS 957481-29-7) is a chemical compound with molecular formula C15H12ClNO7S2 and molecular weight 416.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate
Also Known As: VU0308175-2, AB00593701-02, (4-chlorophenyl) 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate, 4-chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate, 4-CHLOROPHENYL 2-(4-METHANESULFONYL-2-NITROBENZENESULFINYL)ACETATE
| Molecular Formula | C15H12ClNO7S2 |
|---|---|
| Molecular Weight | 416.97 g/mol |
| LogP | 2.3649 |
| Topological Polar Surface Area | 120.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.97437 |
| Heavy Atoms | 26 |
| Complexity | 987.5545 |
Chemical Identifiers
| CAS Number | 957481-29-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)S(=O)CC(=O)OC2=CC=C(C=C2)Cl)[N+](=O)[O-] |
Product Overview
4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate (CAS 957481-29-7), with molecular formula C15H12ClNO7S2 and molecular weight 416.97 g/mol. IUPAC: (4-chlorophenyl) 2-(4-methylsulfonyl-2-nitrophenyl)sulfinylacetate.
Chemical Property Profile of 4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate
Property Insights of 4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate
The XLogP value of 2.3649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate. The TPSA of 120.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate. Following Lipinski's Rule of Five, 4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]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 4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate?
The CAS number of 4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate is 957481-29-7.
What is the molecular formula of 4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate?
The molecular formula of 4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate is C15H12ClNO7S2.
What is the molecular weight of 4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate?
The molecular weight of 4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate is 416.97 g/mol.
Where can I buy 4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate?
You can request a quote for 4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]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-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl {[4-(methylsulfonyl)-2-nitrophenyl]sulfinyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.