![N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide structure](/static/products/500/500147-91-1.png)
N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide
TL;DR: N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide (CAS 500147-91-1) is a chemical compound with molecular formula C21H19F6N3OS and molecular weight 475.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-phenylpropanamide
Also Known As: N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide, N-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-phenylpropanamide, N-{2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-3-phenylpropanamide
| Molecular Formula | C21H19F6N3OS |
|---|---|
| Molecular Weight | 475.12 g/mol |
| LogP | 5.48038 |
| Topological Polar Surface Area | 64.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 475.1153 |
| Heavy Atoms | 32 |
| Complexity | 993.51306 |
Chemical Identifiers
| CAS Number | 500147-91-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(C(F)(F)F)(C(F)(F)F)NC(=O)CCC3=CC=CC=C3)C#N |
Product Overview
N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide (CAS 500147-91-1), with molecular formula C21H19F6N3OS and molecular weight 475.12 g/mol. IUPAC: N-[2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-phenylpropanamide.
Chemical Property Profile of N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide
Property Insights of N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide
The XLogP value of 5.48038 indicates that N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.92 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide. Following Lipinski's Rule of Five, N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide?
The CAS number of N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide is 500147-91-1.
What is the molecular formula of N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide?
The molecular formula of N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide is C21H19F6N3OS.
What is the molecular weight of N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide?
The molecular weight of N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide is 475.12 g/mol.
Where can I buy N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide?
You can request a quote for N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((3-cyano-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-3-phenylpropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.