![N-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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/840/840498-99-9.png)
N-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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 840498-99-9) is a chemical compound with molecular formula C27H25N5O4S2 and molecular weight 547.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dimethoxyphenyl)-2-[(8-oxo-7-phenyl-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-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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-(2,4-dimethoxyphenyl)-2-[(5-oxo-4-phenyl-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 | C27H25N5O4S2 |
|---|---|
| Molecular Weight | 547.13 g/mol |
| LogP | 4.7217 |
| Topological Polar Surface Area | 99.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 547.1348 |
| Heavy Atoms | 38 |
| Complexity | 1724.9722 |
Chemical Identifiers
| CAS Number | 840498-99-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C3N2C4=C(C5=C(S4)CCCC5)C(=O)N3C6=CC=CC=C6)OC |
Product Overview
N-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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 840498-99-9), with molecular formula C27H25N5O4S2 and molecular weight 547.13 g/mol. IUPAC: N-(2,4-dimethoxyphenyl)-2-[(8-oxo-7-phenyl-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-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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 4.7217 indicates that N-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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 99.75 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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 840498-99-9.
What is the molecular formula of N-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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 C27H25N5O4S2.
What is the molecular weight of N-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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 547.13 g/mol.
Where can I buy N-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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-(2,4-dimethoxyphenyl)-2-((5-oxo-4-phenyl-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.