![3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline structure](/static/products/836/836624-82-9.png)
3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
TL;DR: 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 836624-82-9) is a chemical compound with molecular formula C24H22ClN5S2 and molecular weight 479.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-chlorophenyl)methylsulfanyl]-14-propan-2-yl-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)-heptaene
Also Known As: 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline, 3-[(4-chlorobenzyl)sulfanyl]-11-(propan-2-yl)-7,8,9,10-tetrahydro[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C24H22ClN5S2 |
|---|---|
| Molecular Weight | 479.10 g/mol |
| LogP | 6.8351 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 479.10052 |
| Heavy Atoms | 32 |
| Complexity | 1469.6335 |
Chemical Identifiers
| CAS Number | 836624-82-9 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1CCCC3)C4=C(S2)C5=NN=C(N5C=N4)SCC6=CC=C(C=C6)Cl |
Product Overview
3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 836624-82-9), with molecular formula C24H22ClN5S2 and molecular weight 479.10 g/mol. IUPAC: 6-[(4-chlorophenyl)methylsulfanyl]-14-propan-2-yl-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)-heptaene.
Chemical Property Profile of 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Property Insights of 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
The XLogP value of 6.8351 indicates that 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The CAS number of 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 836624-82-9.
What is the molecular formula of 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular formula of 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is C24H22ClN5S2.
What is the molecular weight of 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular weight of 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 479.10 g/mol.
Where can I buy 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
You can request a quote for 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-((4-chlorobenzyl)thio)-11-isopropyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[4'',3'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.