![N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide structure](/static/products/578/578758-99-3.png)
N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide
TL;DR: N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide (CAS 578758-99-3) is a chemical compound with molecular formula C22H23N5O2S2 and molecular weight 453.13 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-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
Also Known As: N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
| Molecular Formula | C22H23N5O2S2 |
|---|---|
| Molecular Weight | 453.13 g/mol |
| LogP | 4.94658 |
| Topological Polar Surface Area | 104.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.1293 |
| Heavy Atoms | 31 |
| Complexity | 1125.2157 |
Chemical Identifiers
| CAS Number | 578758-99-3 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)CSC3=NN=C(O3)C4=CC=NC=C4 |
Product Overview
N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide (CAS 578758-99-3), with molecular formula C22H23N5O2S2 and molecular weight 453.13 g/mol. IUPAC: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide
Property Insights of N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide
The XLogP value of 4.94658 indicates that N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide has 1 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 N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide?
The CAS number of N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide is 578758-99-3.
What is the molecular formula of N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide?
The molecular formula of N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide is C22H23N5O2S2.
What is the molecular weight of N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide?
The molecular weight of N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide is 453.13 g/mol.
Where can I buy N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide?
You can request a quote for N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide 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-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(6-(tert-butyl)-3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)-2-((5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.