![8-((3,4-dichlorobenzyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline structure](/static/products/383/383899-64-7.png)
8-((3,4-dichlorobenzyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
TL;DR: 8-((3,4-dichlorobenzyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 383899-64-7) is a chemical compound with molecular formula C24H23Cl2N3S2 and molecular weight 487.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[(3,4-dichlorophenyl)methylsulfanyl]-8-(2-methylpropyl)-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-((3,4-dichlorobenzyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline, 8-[(3,4-dichlorobenzyl)sulfanyl]-5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C24H23Cl2N3S2 |
|---|---|
| Molecular Weight | 487.07 g/mol |
| LogP | 7.9159 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 487.07104 |
| Heavy Atoms | 31 |
| Complexity | 1283.2808 |
Chemical Identifiers
| CAS Number | 383899-64-7 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)SCC5=CC(=C(C=C5)Cl)Cl |
Product Overview
8-((3,4-dichlorobenzyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 383899-64-7), with molecular formula C24H23Cl2N3S2 and molecular weight 487.07 g/mol. IUPAC: 13-[(3,4-dichlorophenyl)methylsulfanyl]-8-(2-methylpropyl)-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-((3,4-dichlorobenzyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Property Insights of 8-((3,4-dichlorobenzyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
The XLogP value of 7.9159 indicates that 8-((3,4-dichlorobenzyl)thio)-5-isobutyl-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-((3,4-dichlorobenzyl)thio)-5-isobutyl-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-((3,4-dichlorobenzyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-((3,4-dichlorobenzyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The CAS number of 8-((3,4-dichlorobenzyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 383899-64-7.
What is the molecular formula of 8-((3,4-dichlorobenzyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular formula of 8-((3,4-dichlorobenzyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is C24H23Cl2N3S2.
What is the molecular weight of 8-((3,4-dichlorobenzyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular weight of 8-((3,4-dichlorobenzyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 487.07 g/mol.
Where can I buy 8-((3,4-dichlorobenzyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
You can request a quote for 8-((3,4-dichlorobenzyl)thio)-5-isobutyl-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-((3,4-dichlorobenzyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 8-((3,4-dichlorobenzyl)thio)-5-isobutyl-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.