![N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide structure](/static/products/524/524717-03-1.png)
N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide
TL;DR: N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide (CAS 524717-03-1) 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-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-phenylacetamide
Also Known As: N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide, N-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-phenylacetamide, N-{2-[(3-CYANO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHEN-2-YL)AMINO]-1,1,1,3,3,3-HEXAFLUORO-2-PROPANYL}-2-PHENYLACETAMIDE, N-{2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}-2-phenylacetamide
| 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 | 5 |
| Exact Mass | 475.1153 |
| Heavy Atoms | 32 |
| Complexity | 993.51306 |
Chemical Identifiers
| CAS Number | 524717-03-1 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC(=C2C#N)NC(C(F)(F)F)(C(F)(F)F)NC(=O)CC3=CC=CC=C3 |
Product Overview
N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide (CAS 524717-03-1), with molecular formula C21H19F6N3OS and molecular weight 475.12 g/mol. IUPAC: N-[2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-phenylacetamide.
Chemical Property Profile of N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide
Property Insights of N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide
The XLogP value of 5.48038 indicates that N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide 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-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide. Following Lipinski's Rule of Five, N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide 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-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide?
The CAS number of N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide is 524717-03-1.
What is the molecular formula of N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide?
The molecular formula of N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide is C21H19F6N3OS.
What is the molecular weight of N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide?
The molecular weight of N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide is 475.12 g/mol.
Where can I buy N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide?
You can request a quote for N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide 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-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino)-1,1,1,3,3,3-hexafluoropropan-2-yl)-2-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.