![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)-N-phenylacetamide structure](/static/products/488/488119-22-8.png)
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)-N-phenylacetamide
TL;DR: 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)-N-phenylacetamide (CAS 488119-22-8) is a chemical compound with molecular formula C26H26N6OS2 and molecular weight 502.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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]-N-phenylacetamide
Also Known As: 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)-N-phenylacetamide, 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]-N-phenylacetamide, 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}-N-phenylacetamide
| Molecular Formula | C26H26N6OS2 |
|---|---|
| Molecular Weight | 502.16 g/mol |
| LogP | 5.6953 |
| Topological Polar Surface Area | 85.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.16095 |
| Heavy Atoms | 35 |
| Complexity | 1556.7686 |
Chemical Identifiers
| CAS Number | 488119-22-8 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCCC3)C4=C(S2)C5=NN=C(N5C=N4)SCC(=O)NC6=CC=CC=C6 |
Product Overview
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)-N-phenylacetamide (CAS 488119-22-8), with molecular formula C26H26N6OS2 and molecular weight 502.16 g/mol. IUPAC: 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]-N-phenylacetamide.
Chemical Property Profile of 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)-N-phenylacetamide
Property Insights of 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)-N-phenylacetamide
The XLogP value of 5.6953 indicates that 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)-N-phenylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 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)-N-phenylacetamide. Following Lipinski's Rule of Five, 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)-N-phenylacetamide 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-((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)-N-phenylacetamide?
The CAS number of 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)-N-phenylacetamide is 488119-22-8.
What is the molecular formula of 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)-N-phenylacetamide?
The molecular formula of 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)-N-phenylacetamide is C26H26N6OS2.
What is the molecular weight of 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)-N-phenylacetamide?
The molecular weight of 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)-N-phenylacetamide is 502.16 g/mol.
Where can I buy 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)-N-phenylacetamide?
You can request a quote for 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)-N-phenylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 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)-N-phenylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 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)-N-phenylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.