![2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide structure](/static/products/2967/296798-05-5.webp)
2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
TL;DR: 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 296798-05-5) 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.
2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, A0370/0017047, 2-((3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-({3-cyano-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridin-2-yl}sulfanyl)-N-[3-(trifluoromethyl)phenyl]acetamide, 2-(3-cyano(5,6,7,8,9,10-hexahydrocycloocta[2,1-e]pyridin-2-ylthio))-N-[3-(trif luoromethyl)phenyl]acetamide
| Molecular Formula | C21H20F3N3OS |
|---|---|
| Molecular Weight | 419.13 g/mol |
| LogP | 5.36188 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.12793 |
| Heavy Atoms | 29 |
| Complexity | 937.74414 |
Chemical Identifiers
| CAS Number | 296798-05-5 |
|---|---|
| SMILES | C1CCCC2=NC(=C(C=C2CC1)C#N)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 296798-05-5), with molecular formula C21H20F3N3OS and molecular weight 419.13 g/mol. IUPAC: 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Property Insights of 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
The XLogP value of 5.36188 indicates that 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]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 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide has 1 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 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The CAS number of 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is 296798-05-5.
What is the molecular formula of 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The molecular formula of 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is C21H20F3N3OS.
What is the molecular weight of 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The molecular weight of 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide is 419.13 g/mol.
Where can I buy 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
You can request a quote for 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.