![2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide structure](/static/products/500/500105-36-2.png)
2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide
TL;DR: 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide (CAS 500105-36-2) is a chemical compound with molecular formula C21H14FN3O3S and molecular weight 407.07 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-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)acetamide
Also Known As: 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide, 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-fluorophenyl)acetamide, 2-{[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
| Molecular Formula | C21H14FN3O3S |
|---|---|
| Molecular Weight | 407.07 g/mol |
| LogP | 4.21888 |
| Topological Polar Surface Area | 84.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.074 |
| Heavy Atoms | 29 |
| Complexity | 1130.3944 |
Chemical Identifiers
| CAS Number | 500105-36-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C=C3)C#N)SCC(=O)NC4=CC=CC=C4F |
Product Overview
2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide (CAS 500105-36-2), with molecular formula C21H14FN3O3S and molecular weight 407.07 g/mol. IUPAC: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-fluorophenyl)acetamide.
Chemical Property Profile of 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide
Property Insights of 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide
The XLogP value of 4.21888 indicates that 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide has 1 hydrogen bond donor(s) and 6 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 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide?
The CAS number of 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide is 500105-36-2.
What is the molecular formula of 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide?
The molecular formula of 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide is C21H14FN3O3S.
What is the molecular weight of 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide?
The molecular weight of 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide is 407.07 g/mol.
Where can I buy 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide?
You can request a quote for 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)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-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.