![1-(4-chlorophenyl)-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)ethanone structure](/static/products/371/371236-34-9.png)
1-(4-chlorophenyl)-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)ethanone
TL;DR: 1-(4-chlorophenyl)-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)ethanone (CAS 371236-34-9) is a chemical compound with molecular formula C26H24ClN5OS2 and molecular weight 521.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-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]ethanone
Also Known As: 1-(4-chlorophenyl)-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)ethanone, 1-(4-chlorophenyl)-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}ethanone
| Molecular Formula | C26H24ClN5OS2 |
|---|---|
| Molecular Weight | 521.11 g/mol |
| LogP | 6.5929 |
| Topological Polar Surface Area | 73.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.1111 |
| Heavy Atoms | 35 |
| Complexity | 1589.2578 |
Chemical Identifiers
| CAS Number | 371236-34-9 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCCC3)C4=C(S2)C5=NN=C(N5C=N4)SCC(=O)C6=CC=C(C=C6)Cl |
Product Overview
1-(4-chlorophenyl)-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)ethanone (CAS 371236-34-9), with molecular formula C26H24ClN5OS2 and molecular weight 521.11 g/mol. IUPAC: 1-(4-chlorophenyl)-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]ethanone.
Chemical Property Profile of 1-(4-chlorophenyl)-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)ethanone
Property Insights of 1-(4-chlorophenyl)-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)ethanone
The XLogP value of 6.5929 indicates that 1-(4-chlorophenyl)-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)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-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)ethanone. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-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)ethanone has 0 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 1-(4-chlorophenyl)-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)ethanone?
The CAS number of 1-(4-chlorophenyl)-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)ethanone is 371236-34-9.
What is the molecular formula of 1-(4-chlorophenyl)-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)ethanone?
The molecular formula of 1-(4-chlorophenyl)-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)ethanone is C26H24ClN5OS2.
What is the molecular weight of 1-(4-chlorophenyl)-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)ethanone?
The molecular weight of 1-(4-chlorophenyl)-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)ethanone is 521.11 g/mol.
Where can I buy 1-(4-chlorophenyl)-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)ethanone?
You can request a quote for 1-(4-chlorophenyl)-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)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-chlorophenyl)-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)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-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)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.