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2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
TL;DR: 2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide (CAS 577989-53-8) is a chemical compound with molecular formula C18H13F3N2OS and molecular weight 362.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isoquinolin-1-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide, F1316-0093, AB00673987-01, 2-(isoquinolin-1-ylthio)-N-(2-(trifluoromethyl)phenyl)acetamide, 2-isoquinolin-1-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C18H13F3N2OS |
|---|---|
| Molecular Weight | 362.07 g/mol |
| LogP | 4.9844 |
| Topological Polar Surface Area | 41.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.07007 |
| Heavy Atoms | 25 |
| Complexity | 906.7118 |
Chemical Identifiers
| CAS Number | 577989-53-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN=C2SCC(=O)NC3=CC=CC=C3C(F)(F)F |
Product Overview
2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide (CAS 577989-53-8), with molecular formula C18H13F3N2OS and molecular weight 362.07 g/mol. IUPAC: 2-isoquinolin-1-ylsulfanyl-N-[2-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
Property Insights of 2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide
The XLogP value of 4.9844 indicates that 2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.99 Ų, 2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide 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 2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The CAS number of 2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide is 577989-53-8.
What is the molecular formula of 2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The molecular formula of 2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide is C18H13F3N2OS.
What is the molecular weight of 2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The molecular weight of 2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide is 362.07 g/mol.
Where can I buy 2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
You can request a quote for 2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(isoquinolin-1-ylsulfanyl)-N-[2-(trifluoromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.