![N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide structure](/static/products/840/840472-35-7.png)
N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide
TL;DR: N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide (CAS 840472-35-7) is a chemical compound with molecular formula C28H25N5O3S2 and molecular weight 543.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-2-[[7-(4-methylphenyl)-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]acetamide
Also Known As: N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide, N-(4-acetylphenyl)-2-{[4-(4-methylphenyl)-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}acetamide
| Molecular Formula | C28H25N5O3S2 |
|---|---|
| Molecular Weight | 543.14 g/mol |
| LogP | 5.21552 |
| Topological Polar Surface Area | 98.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 543.1399 |
| Heavy Atoms | 38 |
| Complexity | 1765.4412 |
Chemical Identifiers
| CAS Number | 840472-35-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)NC5=CC=C(C=C5)C(=O)C)SC6=C3CCCC6 |
Product Overview
N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide (CAS 840472-35-7), with molecular formula C28H25N5O3S2 and molecular weight 543.14 g/mol. IUPAC: N-(4-acetylphenyl)-2-[[7-(4-methylphenyl)-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]acetamide.
Chemical Property Profile of N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide
Property Insights of N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide
The XLogP value of 5.21552 indicates that N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.36 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)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 N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
The CAS number of N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide is 840472-35-7.
What is the molecular formula of N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
The molecular formula of N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide is C28H25N5O3S2.
What is the molecular weight of N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
The molecular weight of N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide is 543.14 g/mol.
Where can I buy N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
You can request a quote for N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-acetylphenyl)-2-((5-oxo-4-(p-tolyl)-4,5,6,7,8,9-hexahydrobenzo[4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.