![2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide structure](/static/products/6253/625378-09-8.webp)
2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide
TL;DR: 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide (CAS 625378-09-8) is a chemical compound with molecular formula C21H12ClF3N4O3S and molecular weight 492.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide
Also Known As: 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide, AM-807/41464832, 2-[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-N-(2-chloropyridin-3-yl)acetamide, 2-{[6-(2H-1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)pyridin-2-yl]sulfanyl}-N-(2-chloropyridin-3-yl)acetamide
| Molecular Formula | C21H12ClF3N4O3S |
|---|---|
| Molecular Weight | 492.03 g/mol |
| LogP | 5.14698 |
| Topological Polar Surface Area | 97.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.02707 |
| Heavy Atoms | 33 |
| Complexity | 1280.5853 |
Chemical Identifiers
| CAS Number | 625378-09-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C(=C3)C(F)(F)F)C#N)SCC(=O)NC4=C(N=CC=C4)Cl |
Product Overview
2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide (CAS 625378-09-8), with molecular formula C21H12ClF3N4O3S and molecular weight 492.03 g/mol. IUPAC: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(2-chloro-3-pyridinyl)acetamide.
Chemical Property Profile of 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide
Property Insights of 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide
The XLogP value of 5.14698 indicates that 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide. Following Lipinski's Rule of Five, 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide?
The CAS number of 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide is 625378-09-8.
What is the molecular formula of 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide?
The molecular formula of 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide is C21H12ClF3N4O3S.
What is the molecular weight of 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide?
The molecular weight of 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide is 492.03 g/mol.
Where can I buy 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide?
You can request a quote for 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[6-(1,3-benzodioxol-5-yl)-3-cyano-4-(trifluoromethyl)-2-pyridinyl]sulfanyl}-N-(2-chloro-3-pyridinyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.