![2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-fluorophenyl)acetamide structure](/static/products/4888/488802-62-6.webp)
2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-fluorophenyl)acetamide
TL;DR: 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-fluorophenyl)acetamide (CAS 488802-62-6) is a chemical compound with molecular formula C21H13BrFN3O3S and molecular weight 484.98 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-bromo-4-fluorophenyl)acetamide
Also Known As: 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-fluorophenyl)acetamide, 2-{[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl}-N-(2-bromo-4-fluorophenyl)acetamide, AM-807/13616766, 2-((6-(benzo[d][1,3]dioxol-5-yl)-3-cyanopyridin-2-yl)thio)-N-(2-bromo-4-fluorophenyl)acetamide
| Molecular Formula | C21H13BrFN3O3S |
|---|---|
| Molecular Weight | 484.98 g/mol |
| LogP | 4.98138 |
| Topological Polar Surface Area | 84.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.9845 |
| Heavy Atoms | 30 |
| Complexity | 1182.6436 |
Chemical Identifiers
| CAS Number | 488802-62-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NC(=C(C=C3)C#N)SCC(=O)NC4=C(C=C(C=C4)F)Br |
Product Overview
2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-fluorophenyl)acetamide (CAS 488802-62-6), with molecular formula C21H13BrFN3O3S and molecular weight 484.98 g/mol. IUPAC: 2-[[6-(1,3-benzodioxol-5-yl)-3-cyano-2-pyridinyl]sulfanyl]-N-(2-bromo-4-fluorophenyl)acetamide.
Chemical Property Profile of 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-fluorophenyl)acetamide
Property Insights of 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-fluorophenyl)acetamide
The XLogP value of 4.98138 indicates that 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-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-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-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-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-fluorophenyl)acetamide?
The CAS number of 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-fluorophenyl)acetamide is 488802-62-6.
What is the molecular formula of 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-fluorophenyl)acetamide?
The molecular formula of 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-fluorophenyl)acetamide is C21H13BrFN3O3S.
What is the molecular weight of 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-fluorophenyl)acetamide?
The molecular weight of 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-fluorophenyl)acetamide is 484.98 g/mol.
Where can I buy 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-fluorophenyl)acetamide?
You can request a quote for 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-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-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[6-(1,3-benzodioxol-5-yl)-3-cyanopyridin-2-yl]sulfanyl-N-(2-bromo-4-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.