![4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine structure](/static/products/328/328069-47-2.png)
4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine
TL;DR: 4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine (CAS 328069-47-2) is a chemical compound with molecular formula C19H20N6OS2 and molecular weight 412.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylsulfanyl-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-14-yl)morpholine
Also Known As: 4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine, 5-(methylsulfanyl)-11-(morpholin-4-yl)-7,8,9,10-tetrahydro[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C19H20N6OS2 |
|---|---|
| Molecular Weight | 412.11 g/mol |
| LogP | 3.3245 |
| Topological Polar Surface Area | 68.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.114 |
| Heavy Atoms | 28 |
| Complexity | 1210.0188 |
Chemical Identifiers
| CAS Number | 328069-47-2 |
|---|---|
| SMILES | CSC1=NC2=C(C3=NC=NN31)SC4=C2C5=C(CCCC5)C(=N4)N6CCOCC6 |
Product Overview
4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine (CAS 328069-47-2), with molecular formula C19H20N6OS2 and molecular weight 412.11 g/mol. IUPAC: 4-(4-methylsulfanyl-11-thia-3,5,6,8,13-pentazapentacyclo[10.8.0.02,10.05,9.015,20]icosa-1(12),2(10),3,6,8,13,15(20)-heptaen-14-yl)morpholine.
Chemical Property Profile of 4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine
Property Insights of 4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine
The XLogP value of 3.3245 indicates that 4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine. Following Lipinski's Rule of Five, 4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine has 0 hydrogen bond donor(s) and 8 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 4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine?
The CAS number of 4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine is 328069-47-2.
What is the molecular formula of 4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine?
The molecular formula of 4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine is C19H20N6OS2.
What is the molecular weight of 4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine?
The molecular weight of 4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine is 412.11 g/mol.
Where can I buy 4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine?
You can request a quote for 4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-(methylthio)-7,8,9,10-tetrahydro-[1,2,4]triazolo[1'',5'':1',6']pyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-11-yl)morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.