![N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide structure](/static/products/6262/626227-49-4.webp)
N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide
TL;DR: N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide (CAS 626227-49-4) is a chemical compound with molecular formula C21H20F3N3OS and molecular weight 419.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl]acetamide
Also Known As: N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide, AM-807/41626758, N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide, N-benzyl-2-[[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl]acetamide
| Molecular Formula | C21H20F3N3OS |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 4.64948 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 419.12793 |
| Heavy Atoms | 29 |
| Complexity | 923.49414 |
Chemical Identifiers
| CAS Number | 626227-49-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)N=C(C(=C2C(F)(F)F)C#N)SCC(=O)NCC3=CC=CC=C3 |
Product Overview
N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide (CAS 626227-49-4), with molecular formula C21H20F3N3OS and molecular weight 419.13 g/mol. IUPAC: N-benzyl-2-[[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl]acetamide.
Chemical Property Profile of N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide
Property Insights of N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide
The XLogP value of 4.64948 indicates that N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.78 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 4 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-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide?
The CAS number of N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide is 626227-49-4.
What is the molecular formula of N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide?
The molecular formula of N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide is C21H20F3N3OS.
What is the molecular weight of N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide?
The molecular weight of N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide is 419.13 g/mol.
Where can I buy N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide?
You can request a quote for N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-{[3-cyano-4-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.