![N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide structure](/static/products/488/488109-87-1.png)
N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide
TL;DR: N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide (CAS 488109-87-1) is a chemical compound with molecular formula C28H28N6O2S2 and molecular weight 544.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-acetylphenyl)-2-[[14-(2-methylpropyl)-11-thia-3,5,7,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-6-yl]sulfanyl]acetamide
Also Known As: N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide, N-(4-Acetylphenyl)-2-[(11-(2-methylpropyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']-pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)-sulfanyl]acetamide, N-(4-acetylphenyl)-2-{[11-(2-methylpropyl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl]sulfanyl}acetamide
| Molecular Formula | C28H28N6O2S2 |
|---|---|
| Molecular Weight | 544.17 g/mol |
| LogP | 5.8979 |
| Topological Polar Surface Area | 102.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 544.1715 |
| Heavy Atoms | 38 |
| Complexity | 1704.3112 |
Chemical Identifiers
| CAS Number | 488109-87-1 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCCC3)C4=C(S2)C5=NN=C(N5C=N4)SCC(=O)NC6=CC=C(C=C6)C(=O)C |
Product Overview
N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide (CAS 488109-87-1), with molecular formula C28H28N6O2S2 and molecular weight 544.17 g/mol. IUPAC: N-(4-acetylphenyl)-2-[[14-(2-methylpropyl)-11-thia-3,5,7,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-6-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide
Property Insights of N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide
The XLogP value of 5.8979 indicates that N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-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-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide?
The CAS number of N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide is 488109-87-1.
What is the molecular formula of N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide?
The molecular formula of N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide is C28H28N6O2S2.
What is the molecular weight of N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide?
The molecular weight of N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide is 544.17 g/mol.
Where can I buy N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide?
You can request a quote for N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-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-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-acetylphenyl)-2-((11-isobutyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.