![(E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline structure](/static/products/840/840476-98-4.png)
(E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
TL;DR: (E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 840476-98-4) is a chemical compound with molecular formula C20H22ClN3S2 and molecular weight 403.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[(E)-3-chlorobut-2-enyl]sulfanyl-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: (E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline, 8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-5-(propan-2-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C20H22ClN3S2 |
|---|---|
| Molecular Weight | 403.09 g/mol |
| LogP | 6.4764 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.09436 |
| Heavy Atoms | 26 |
| Complexity | 1003.3678 |
Chemical Identifiers
| CAS Number | 840476-98-4 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)SC/C=C(\C)/Cl |
Product Overview
(E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline (CAS 840476-98-4), with molecular formula C20H22ClN3S2 and molecular weight 403.09 g/mol. IUPAC: 13-[(E)-3-chlorobut-2-enyl]sulfanyl-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 (E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
Property Insights of (E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
The XLogP value of 6.4764 indicates that (E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-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, (E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-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, (E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-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 (E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The CAS number of (E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 840476-98-4.
What is the molecular formula of (E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular formula of (E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is C20H22ClN3S2.
What is the molecular weight of (E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
The molecular weight of (E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline is 403.09 g/mol.
Where can I buy (E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
You can request a quote for (E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-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 (E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for (E)-8-((3-chlorobut-2-en-1-yl)thio)-5-isopropyl-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.