![N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide structure](/static/products/5494/549496-65-3.webp)
N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide
TL;DR: N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide (CAS 549496-65-3) is a chemical compound with molecular formula C15H17F3N2OS and molecular weight 330.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide
Also Known As: N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide, N-(3-cyano-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,2,2-trifluoro-acetamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2,2,2-trifluoroacetamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide, N-(6-tert-Butyl-3-cyano-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-2,2,2-trifluoro-acetamide
| Molecular Formula | C15H17F3N2OS |
|---|---|
| Molecular Weight | 330.10 g/mol |
| LogP | 4.27158 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 330.10138 |
| Heavy Atoms | 22 |
| Complexity | 634.9286 |
Chemical Identifiers
| CAS Number | 549496-65-3 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C(F)(F)F |
Product Overview
N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide (CAS 549496-65-3), with molecular formula C15H17F3N2OS and molecular weight 330.10 g/mol. IUPAC: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,2,2-trifluoroacetamide.
Chemical Property Profile of N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide
Property Insights of N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide
The XLogP value of 4.27158 indicates that N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide 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-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide 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-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide?
The CAS number of N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide is 549496-65-3.
What is the molecular formula of N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide?
The molecular formula of N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide is C15H17F3N2OS.
What is the molecular weight of N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide?
The molecular weight of N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide is 330.10 g/mol.
Where can I buy N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide?
You can request a quote for N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-(tert-Butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2,2,2-trifluoroacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.