![Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate structure](/static/products/4778/477866-75-4.webp)
Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate
TL;DR: Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate (CAS 477866-75-4) is a chemical compound with molecular formula C16H10F3NO2S and molecular weight 337.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylbenzoate
Also Known As: methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate, 1L-520S, methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzoate, methyl 2-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylbenzoate, Methyl 2-((2-cyano-4-(trifluoromethyl)phenyl)sulfanyl)benzenecarboxylate
| Molecular Formula | C16H10F3NO2S |
|---|---|
| Molecular Weight | 337.04 g/mol |
| LogP | 4.51488 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.03842 |
| Heavy Atoms | 23 |
| Complexity | 781.6253 |
Chemical Identifiers
| CAS Number | 477866-75-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1SC2=C(C=C(C=C2)C(F)(F)F)C#N |
Product Overview
Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate (CAS 477866-75-4), with molecular formula C16H10F3NO2S and molecular weight 337.04 g/mol. IUPAC: methyl 2-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylbenzoate.
Chemical Property Profile of Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate
Property Insights of Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate
The XLogP value of 4.51488 indicates that Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate has 0 hydrogen bond donor(s) and 4 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 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate?
The CAS number of Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate is 477866-75-4.
What is the molecular formula of Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate?
The molecular formula of Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate is C16H10F3NO2S.
What is the molecular weight of Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate?
The molecular weight of Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate is 337.04 g/mol.
Where can I buy Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate?
You can request a quote for Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-{[2-cyano-4-(trifluoromethyl)phenyl]sulfanyl}benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.