![Cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate structure](/static/products/5367/536728-94-6.webp)
Cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate
TL;DR: Cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate (CAS 536728-94-6) is a chemical compound with molecular formula C15H16F3NO4S and molecular weight 363.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate
Also Known As: AS-871/41415365, cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate, cyclohexyl 2-[2-nitro-4-(trifluoromethyl)phenylthio]acetate, cyclohexyl 2-((2-nitro-4-(trifluoromethyl)phenyl)thio)acetate, cyclohexyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate
| Molecular Formula | C15H16F3NO4S |
|---|---|
| Molecular Weight | 363.08 g/mol |
| LogP | 4.5816 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.07523 |
| Heavy Atoms | 24 |
| Complexity | 615.227 |
Chemical Identifiers
| CAS Number | 536728-94-6 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-] |
Product Overview
Cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate (CAS 536728-94-6), with molecular formula C15H16F3NO4S and molecular weight 363.08 g/mol. IUPAC: cyclohexyl 2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetate.
Chemical Property Profile of Cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate
Property Insights of Cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate
The XLogP value of 4.5816 indicates that Cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate. Following Lipinski's Rule of Five, Cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate has 0 hydrogen bond donor(s) and 5 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-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate?
The CAS number of Cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate is 536728-94-6.
What is the molecular formula of Cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate?
The molecular formula of Cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate is C15H16F3NO4S.
What is the molecular weight of Cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate?
The molecular weight of Cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate is 363.08 g/mol.
Where can I buy Cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate?
You can request a quote for Cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}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-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl {[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.