![2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide structure](/static/products/4887/488747-53-1.webp)
2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide
TL;DR: 2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide (CAS 488747-53-1) is a chemical compound with molecular formula C19H18N6O2S2 and molecular weight 426.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(7-methyl-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]-N-pyridin-2-ylacetamide
Also Known As: 2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide, 2-[(4-methyl-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(pyridin-2-yl)acetamide
| Molecular Formula | C19H18N6O2S2 |
|---|---|
| Molecular Weight | 426.09 g/mol |
| LogP | 2.6473 |
| Topological Polar Surface Area | 94.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.09326 |
| Heavy Atoms | 29 |
| Complexity | 1291.2577 |
Chemical Identifiers
| CAS Number | 488747-53-1 |
|---|---|
| SMILES | CN1C(=O)C2=C(N3C1=NN=C3SCC(=O)NC4=CC=CC=N4)SC5=C2CCCC5 |
Product Overview
2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide (CAS 488747-53-1), with molecular formula C19H18N6O2S2 and molecular weight 426.09 g/mol. IUPAC: 2-[(7-methyl-8-oxo-16-thia-2,4,5,7-tetrazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]-N-pyridin-2-ylacetamide.
Chemical Property Profile of 2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide
Property Insights of 2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide
The XLogP value of 2.6473 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide. The TPSA of 94.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide. Following Lipinski's Rule of Five, 2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide has 1 hydrogen bond donor(s) and 7 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-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide?
The CAS number of 2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide is 488747-53-1.
What is the molecular formula of 2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide?
The molecular formula of 2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide is C19H18N6O2S2.
What is the molecular weight of 2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide?
The molecular weight of 2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide is 426.09 g/mol.
Where can I buy 2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide?
You can request a quote for 2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-methyl-5-oxo-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(pyridin-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.