![8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline structure](/static/products/836/836633-44-4.png)
8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
TL;DR: 8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 836633-44-4) is a chemical compound with molecular formula C24H24ClN3S3 and molecular weight 485.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[(4-chlorophenyl)methylsulfanyl]-15-methylsulfanyl-8-propan-2-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene
Also Known As: 8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline, 8-[(4-chlorobenzyl)sulfanyl]-10-(methylsulfanyl)-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C24H24ClN3S3 |
|---|---|
| Molecular Weight | 485.08 g/mol |
| LogP | 7.9093 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 485.0821 |
| Heavy Atoms | 31 |
| Complexity | 1265.2759 |
Chemical Identifiers
| CAS Number | 836633-44-4 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC(=N4)SC)SCC5=CC=C(C=C5)Cl |
Product Overview
8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 836633-44-4), with molecular formula C24H24ClN3S3 and molecular weight 485.08 g/mol. IUPAC: 13-[(4-chlorophenyl)methylsulfanyl]-15-methylsulfanyl-8-propan-2-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaene.
Chemical Property Profile of 8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Property Insights of 8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
The XLogP value of 7.9093 indicates that 8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[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 38.67 Ų, 8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[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, 8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[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 8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The CAS number of 8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 836633-44-4.
What is the molecular formula of 8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular formula of 8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is C24H24ClN3S3.
What is the molecular weight of 8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular weight of 8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 485.08 g/mol.
Where can I buy 8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
You can request a quote for 8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[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 8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 8-((4-chlorobenzyl)thio)-5-isopropyl-10-(methylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.