![N-(2-chlorophenyl)-2-((11-propyl-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/836/836652-55-2.png)
N-(2-chlorophenyl)-2-((11-propyl-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-(2-chlorophenyl)-2-((11-propyl-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 836652-55-2) is a chemical compound with molecular formula C25H23ClN6OS2 and molecular weight 522.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chlorophenyl)-2-[(14-propyl-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-(2-chlorophenyl)-2-((11-propyl-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-(2-chlorophenyl)-2-[(11-propyl-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 | C25H23ClN6OS2 |
|---|---|
| Molecular Weight | 522.11 g/mol |
| LogP | 6.1027 |
| Topological Polar Surface Area | 85.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.1063 |
| Heavy Atoms | 35 |
| Complexity | 1594.0386 |
Chemical Identifiers
| CAS Number | 836652-55-2 |
|---|---|
| SMILES | CCCC1=NC2=C(C3=C1CCCC3)C4=C(S2)C5=NN=C(N5C=N4)SCC(=O)NC6=CC=CC=C6Cl |
Product Overview
N-(2-chlorophenyl)-2-((11-propyl-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 836652-55-2), with molecular formula C25H23ClN6OS2 and molecular weight 522.11 g/mol. IUPAC: N-(2-chlorophenyl)-2-[(14-propyl-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-(2-chlorophenyl)-2-((11-propyl-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-(2-chlorophenyl)-2-((11-propyl-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 6.1027 indicates that N-(2-chlorophenyl)-2-((11-propyl-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 85.07 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chlorophenyl)-2-((11-propyl-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-(2-chlorophenyl)-2-((11-propyl-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 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-(2-chlorophenyl)-2-((11-propyl-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-(2-chlorophenyl)-2-((11-propyl-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 836652-55-2.
What is the molecular formula of N-(2-chlorophenyl)-2-((11-propyl-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-(2-chlorophenyl)-2-((11-propyl-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 C25H23ClN6OS2.
What is the molecular weight of N-(2-chlorophenyl)-2-((11-propyl-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-(2-chlorophenyl)-2-((11-propyl-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 522.11 g/mol.
Where can I buy N-(2-chlorophenyl)-2-((11-propyl-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-(2-chlorophenyl)-2-((11-propyl-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-(2-chlorophenyl)-2-((11-propyl-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-(2-chlorophenyl)-2-((11-propyl-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.