![8-((2-bromoallyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline structure](/static/products/488/488708-48-1.png)
8-((2-bromoallyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
TL;DR: 8-((2-bromoallyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 488708-48-1) is a chemical compound with molecular formula C20H22BrN3S2 and molecular weight 447.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-(2-bromoprop-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: 8-((2-bromoallyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline, 8-[(2-bromoprop-2-en-1-yl)sulfanyl]-5-(2-methylpropyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C20H22BrN3S2 |
|---|---|
| Molecular Weight | 447.04 g/mol |
| LogP | 6.3175 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 447.04385 |
| Heavy Atoms | 26 |
| Complexity | 993.7894 |
Chemical Identifiers
| CAS Number | 488708-48-1 |
|---|---|
| SMILES | CC(C)CC1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)SCC(=C)Br |
Product Overview
8-((2-bromoallyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 488708-48-1), with molecular formula C20H22BrN3S2 and molecular weight 447.04 g/mol. IUPAC: 13-(2-bromoprop-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 8-((2-bromoallyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Property Insights of 8-((2-bromoallyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
The XLogP value of 6.3175 indicates that 8-((2-bromoallyl)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-((2-bromoallyl)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-((2-bromoallyl)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-((2-bromoallyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The CAS number of 8-((2-bromoallyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 488708-48-1.
What is the molecular formula of 8-((2-bromoallyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular formula of 8-((2-bromoallyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is C20H22BrN3S2.
What is the molecular weight of 8-((2-bromoallyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular weight of 8-((2-bromoallyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 447.04 g/mol.
Where can I buy 8-((2-bromoallyl)thio)-5-isobutyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
You can request a quote for 8-((2-bromoallyl)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-((2-bromoallyl)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-((2-bromoallyl)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.