![2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide structure](/static/products/6262/626227-18-7.webp)
2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
TL;DR: 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 626227-18-7) is a chemical compound with molecular formula C19H13F6N3OS and molecular weight 445.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-{[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide, 2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C19H13F6N3OS |
|---|---|
| Molecular Weight | 445.07 g/mol |
| LogP | 5.21038 |
| Topological Polar Surface Area | 65.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 445.06836 |
| Heavy Atoms | 30 |
| Complexity | 1026.6407 |
Chemical Identifiers
| CAS Number | 626227-18-7 |
|---|---|
| SMILES | C1CC2=C(C1)N=C(C(=C2C(F)(F)F)C#N)SCC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide (CAS 626227-18-7), with molecular formula C19H13F6N3OS and molecular weight 445.07 g/mol. IUPAC: 2-[[3-cyano-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Property Insights of 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
The XLogP value of 5.21038 indicates that 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[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-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[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-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide?
The CAS number of 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide is 626227-18-7.
What is the molecular formula of 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide?
The molecular formula of 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide is C19H13F6N3OS.
What is the molecular weight of 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide?
The molecular weight of 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide is 445.07 g/mol.
Where can I buy 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide?
You can request a quote for 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[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-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[3-cyano-4-(trifluoromethyl)-5H,6H,7H-cyclopenta[b]pyridin-2-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.