![Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate structure](/static/products/5261/526189-74-2.webp)
Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate
TL;DR: Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate (CAS 526189-74-2) is a chemical compound with molecular formula C15H19NO6S2 and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate
Also Known As: AS-871/41415375, cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate, cyclohexyl {[2-nitro-4-(methylsulfonyl)phenyl]sulfanyl}acetate, cyclohexyl 2-((4-(methylsulfonyl)-2-nitrophenyl)thio)acetate, cyclohexyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate
| Molecular Formula | C15H19NO6S2 |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 2.9663 |
| Topological Polar Surface Area | 103.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.06537 |
| Heavy Atoms | 24 |
| Complexity | 725.47986 |
Chemical Identifiers
| CAS Number | 526189-74-2 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)SCC(=O)OC2CCCCC2)[N+](=O)[O-] |
Product Overview
Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate (CAS 526189-74-2), with molecular formula C15H19NO6S2 and molecular weight 373.07 g/mol. IUPAC: cyclohexyl 2-(4-methylsulfonyl-2-nitrophenyl)sulfanylacetate.
Chemical Property Profile of Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate
Property Insights of Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate
The XLogP value of 2.9663 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate. The TPSA of 103.58 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate. Following Lipinski's Rule of Five, Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]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 Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate?
The CAS number of Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate is 526189-74-2.
What is the molecular formula of Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate?
The molecular formula of Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate is C15H19NO6S2.
What is the molecular weight of Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate?
The molecular weight of Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate is 373.07 g/mol.
Where can I buy Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate?
You can request a quote for Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl 2-[4-(methylsulfonyl)-2-nitrophenylthio]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.