N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide
TL;DR: N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide (CAS 477498-16-1) is a chemical compound with molecular formula C17H13F3N2OS and molecular weight 350.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-cyanoethylsulfanyl)phenyl]-3-(trifluoromethyl)benzamide
Also Known As: N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide, N-[2-(2-cyanoethylsulfanyl)phenyl]-3-(trifluoromethyl)benzamide, N-{2-[(2-cyanoethyl)sulfanyl]phenyl}-3-(trifluoromethyl)benzamide, F0806-0870
| Molecular Formula | C17H13F3N2OS |
|---|---|
| Molecular Weight | 350.07 g/mol |
| LogP | 4.96348 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.07007 |
| Heavy Atoms | 24 |
| Complexity | 768.9163 |
Chemical Identifiers
| CAS Number | 477498-16-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)SCCC#N |
Product Overview
N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide (CAS 477498-16-1), with molecular formula C17H13F3N2OS and molecular weight 350.07 g/mol. IUPAC: N-[2-(2-cyanoethylsulfanyl)phenyl]-3-(trifluoromethyl)benzamide.
Chemical Property Profile of N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide
Property Insights of N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide
The XLogP value of 4.96348 indicates that N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide has 1 hydrogen bond donor(s) and 3 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 N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide?
The CAS number of N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide is 477498-16-1.
What is the molecular formula of N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide?
The molecular formula of N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide is C17H13F3N2OS.
What is the molecular weight of N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide?
The molecular weight of N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide is 350.07 g/mol.
Where can I buy N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide?
You can request a quote for N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((2-cyanoethyl)thio)phenyl)-3-(trifluoromethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.