![methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate structure](/static/products/3812/381205-33-0.webp)
methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate
TL;DR: methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate (CAS 381205-33-0) is a chemical compound with molecular formula C20H22N4O3S2 and molecular weight 430.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)sulfanyl]acetate
Also Known As: methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate, Methyl 2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)sulfanyl]acetate, methyl 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)acetate, methyl {[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}acetate
| Molecular Formula | C20H22N4O3S2 |
|---|---|
| Molecular Weight | 430.11 g/mol |
| LogP | 3.22 |
| Topological Polar Surface Area | 77.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.11334 |
| Heavy Atoms | 29 |
| Complexity | 1078.6996 |
Chemical Identifiers
| CAS Number | 381205-33-0 |
|---|---|
| SMILES | COC(=O)CSC1=NC=NC2=C1SC3=C2C4=C(CCCC4)C(=N3)N5CCOCC5 |
Product Overview
methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate (CAS 381205-33-0), with molecular formula C20H22N4O3S2 and molecular weight 430.11 g/mol. IUPAC: methyl 2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)sulfanyl]acetate.
Chemical Property Profile of methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate
Property Insights of methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate
The XLogP value of 3.22 indicates that methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.44 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate. Following Lipinski's Rule of Five, methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate?
The CAS number of methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate is 381205-33-0.
What is the molecular formula of methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate?
The molecular formula of methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate is C20H22N4O3S2.
What is the molecular weight of methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate?
The molecular weight of methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate is 430.11 g/mol.
Where can I buy methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate?
You can request a quote for methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl {[5-(4-morpholinyl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]thio}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.