![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-ethoxybenzamide structure](/static/products/361/361989-40-4.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-ethoxybenzamide
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-ethoxybenzamide (CAS 361989-40-4) is a chemical compound with molecular formula C22H21F6N3O2S and molecular weight 505.13 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-ethoxybenzamide
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-ethoxybenzamide, 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-ethoxybenzamide, 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-ethoxybenzamide
| Molecular Formula | C22H21F6N3O2S |
|---|---|
| Molecular Weight | 505.13 g/mol |
| LogP | 5.95018 |
| Topological Polar Surface Area | 74.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.12585 |
| Heavy Atoms | 34 |
| Complexity | 1073.7749 |
Chemical Identifiers
| CAS Number | 361989-40-4 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C(=O)NC(C(F)(F)F)(C(F)(F)F)NC2=C(C3=C(S2)CCCCC3)C#N |
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-ethoxybenzamide (CAS 361989-40-4), with molecular formula C22H21F6N3O2S and molecular weight 505.13 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-ethoxybenzamide.
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-ethoxybenzamide
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-ethoxybenzamide
The XLogP value of 5.95018 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-ethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.15 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-ethoxybenzamide. 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-ethoxybenzamide has 2 hydrogen bond donor(s) and 5 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-ethoxybenzamide?
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-ethoxybenzamide is 361989-40-4.
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-ethoxybenzamide?
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-ethoxybenzamide is C22H21F6N3O2S.
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-ethoxybenzamide?
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-ethoxybenzamide is 505.13 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-ethoxybenzamide?
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-ethoxybenzamide 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-ethoxybenzamide?
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-ethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.