![2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide structure](/static/products/846/846592-53-8.png)
2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide
TL;DR: 2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide (CAS 846592-53-8) is a chemical compound with molecular formula C26H24N6O2S2 and molecular weight 516.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(13-methyl-8-oxo-7-phenyl-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: 2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide, 2-[(8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(2-methylphenyl)acetamide
| Molecular Formula | C26H24N6O2S2 |
|---|---|
| Molecular Weight | 516.14 g/mol |
| LogP | 4.12202 |
| Topological Polar Surface Area | 84.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 516.1402 |
| Heavy Atoms | 36 |
| Complexity | 1671.1566 |
Chemical Identifiers
| CAS Number | 846592-53-8 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NN=C3N2C4=C(C5=C(S4)CN(CC5)C)C(=O)N3C6=CC=CC=C6 |
Product Overview
2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide (CAS 846592-53-8), with molecular formula C26H24N6O2S2 and molecular weight 516.14 g/mol. IUPAC: 2-[(13-methyl-8-oxo-7-phenyl-16-thia-2,4,5,7,13-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,10(15)-tetraen-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of 2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide
Property Insights of 2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide
The XLogP value of 4.12202 indicates that 2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide. Following Lipinski's Rule of Five, 2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)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-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide?
The CAS number of 2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide is 846592-53-8.
What is the molecular formula of 2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide?
The molecular formula of 2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide is C26H24N6O2S2.
What is the molecular weight of 2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide?
The molecular weight of 2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide is 516.14 g/mol.
Where can I buy 2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide?
You can request a quote for 2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((8-methyl-5-oxo-4-phenyl-4,5,6,7,8,9-hexahydropyrido[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)-N-(o-tolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.