![5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline structure](/static/products/577/577962-43-7.png)
5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
TL;DR: 5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 577962-43-7) is a chemical compound with molecular formula C23H22N4O2S2 and molecular weight 450.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[(4-nitrophenyl)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: 5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline, 8-[(4-nitrobenzyl)sulfanyl]-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C23H22N4O2S2 |
|---|---|
| Molecular Weight | 450.12 g/mol |
| LogP | 6.4422 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 450.1184 |
| Heavy Atoms | 31 |
| Complexity | 1298.9197 |
Chemical Identifiers
| CAS Number | 577962-43-7 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)SCC5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 577962-43-7), with molecular formula C23H22N4O2S2 and molecular weight 450.12 g/mol. IUPAC: 13-[(4-nitrophenyl)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 5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Property Insights of 5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
The XLogP value of 6.4422 indicates that 5-isopropyl-8-((4-nitrobenzyl)thio)-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. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline. Following Lipinski's Rule of Five, 5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline 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 5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The CAS number of 5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 577962-43-7.
What is the molecular formula of 5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular formula of 5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is C23H22N4O2S2.
What is the molecular weight of 5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular weight of 5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 450.12 g/mol.
Where can I buy 5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
You can request a quote for 5-isopropyl-8-((4-nitrobenzyl)thio)-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 5-isopropyl-8-((4-nitrobenzyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 5-isopropyl-8-((4-nitrobenzyl)thio)-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.