![5-ethyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline structure](/static/products/372/372973-98-3.png)
5-ethyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
TL;DR: 5-ethyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 372973-98-3) is a chemical compound with molecular formula C19H21N3S2 and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-ethyl-13-(2-methylprop-2-enylsulfanyl)-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-ethyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline, 5-ethyl-8-[(2-methylprop-2-en-1-yl)sulfanyl]-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C19H21N3S2 |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 5.3489 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.11768 |
| Heavy Atoms | 24 |
| Complexity | 942.8257 |
Chemical Identifiers
| CAS Number | 372973-98-3 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)SCC(=C)C |
Product Overview
5-ethyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 372973-98-3), with molecular formula C19H21N3S2 and molecular weight 355.12 g/mol. IUPAC: 8-ethyl-13-(2-methylprop-2-enylsulfanyl)-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-ethyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Property Insights of 5-ethyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
The XLogP value of 5.3489 indicates that 5-ethyl-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-ethyl-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-ethyl-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-ethyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The CAS number of 5-ethyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 372973-98-3.
What is the molecular formula of 5-ethyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular formula of 5-ethyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is C19H21N3S2.
What is the molecular weight of 5-ethyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular weight of 5-ethyl-8-((2-methylallyl)thio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 355.12 g/mol.
Where can I buy 5-ethyl-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-ethyl-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-ethyl-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-ethyl-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.