![Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate structure](/static/products/6140/61405-48-9.webp)
Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate
TL;DR: Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate (CAS 61405-48-9) is a chemical compound with molecular formula C15H9ClF3NO4S and molecular weight 390.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-2-nitrobenzoate
Also Known As: RH-1460 DIPH THIOETHER, RH 1460, methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate, methyl 5-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-2-nitrobenzoate, methyl 5-((2-chloro-4-(trifluoromethyl)phenyl)thio)-2-nitrobenzoate
| Molecular Formula | C15H9ClF3NO4S |
|---|---|
| Molecular Weight | 390.99 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 97.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.9893 |
| Heavy Atoms | 25 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 61405-48-9 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)SC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
| InChIKey | DDHHWTSFMQJGTH-UHFFFAOYSA-N |
Product Overview
Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate (CAS 61405-48-9), with molecular formula C15H9ClF3NO4S and molecular weight 390.99 g/mol. IUPAC: methyl 5-[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl-2-nitrobenzoate.
Chemical Property Profile of Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate
Property Insights of Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate
The XLogP value of 3.9 indicates that Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate. Following Lipinski's Rule of Five, Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate 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 Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate?
The CAS number of Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate is 61405-48-9.
What is the molecular formula of Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate?
The molecular formula of Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate is C15H9ClF3NO4S.
What is the molecular weight of Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate?
The molecular weight of Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate is 390.99 g/mol.
Where can I buy Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate?
You can request a quote for Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-{[2-chloro-4-(trifluoromethyl)phenyl]sulfanyl}-2-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.