![5-isobutyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline structure](/static/products/371/371922-54-2.png)
5-isobutyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
TL;DR: 5-isobutyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 371922-54-2) is a chemical compound with molecular formula C21H25N3S2 and molecular weight 383.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(2-methylprop-2-enylsulfanyl)-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: 5-isobutyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline, 8-[(2-methylprop-2-en-1-yl)sulfanyl]-5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C21H25N3S2 |
|---|---|
| Molecular Weight | 383.15 g/mol |
| LogP | 5.985 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.149 |
| Heavy Atoms | 26 |
| Complexity | 987.9893 |
Chemical Identifiers
| CAS Number | 371922-54-2 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)SCC(=C)C |
Product Overview
5-isobutyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 371922-54-2), with molecular formula C21H25N3S2 and molecular weight 383.15 g/mol. IUPAC: 13-(2-methylprop-2-enylsulfanyl)-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 5-isobutyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Property Insights of 5-isobutyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
The XLogP value of 5.985 indicates that 5-isobutyl-8-((2-methylallyl)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. With a topological polar surface area (TPSA) of 38.67 Ų, 5-isobutyl-8-((2-methylallyl)thio)-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, 5-isobutyl-8-((2-methylallyl)thio)-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 5-isobutyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The CAS number of 5-isobutyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 371922-54-2.
What is the molecular formula of 5-isobutyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular formula of 5-isobutyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is C21H25N3S2.
What is the molecular weight of 5-isobutyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular weight of 5-isobutyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 383.15 g/mol.
Where can I buy 5-isobutyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
You can request a quote for 5-isobutyl-8-((2-methylallyl)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-isobutyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 5-isobutyl-8-((2-methylallyl)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.