![4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine structure](/static/products/384/384373-87-9.png)
4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine
TL;DR: 4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine (CAS 384373-87-9) is a chemical compound with molecular formula C22H28N4OS2 and molecular weight 428.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[13-(3-methylbutylsulfanyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-8-yl]morpholine
Also Known As: 4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine, 8-[(3-methylbutyl)sulfanyl]-5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinoline
| Molecular Formula | C22H28N4OS2 |
|---|---|
| Molecular Weight | 428.17 g/mol |
| LogP | 5.0931 |
| Topological Polar Surface Area | 51.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 428.17044 |
| Heavy Atoms | 29 |
| Complexity | 1026.7374 |
Chemical Identifiers
| CAS Number | 384373-87-9 |
|---|---|
| SMILES | CC(C)CCSC1=NC=NC2=C1SC3=C2C4=C(CCCC4)C(=N3)N5CCOCC5 |
Product Overview
4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine (CAS 384373-87-9), with molecular formula C22H28N4OS2 and molecular weight 428.17 g/mol. IUPAC: 4-[13-(3-methylbutylsulfanyl)-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-8-yl]morpholine.
Chemical Property Profile of 4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine
Property Insights of 4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine
The XLogP value of 5.0931 indicates that 4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.14 Ų, 4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine?
The CAS number of 4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine is 384373-87-9.
What is the molecular formula of 4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine?
The molecular formula of 4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine is C22H28N4OS2.
What is the molecular weight of 4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine?
The molecular weight of 4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine is 428.17 g/mol.
Where can I buy 4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine?
You can request a quote for 4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-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-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine?
Yes, KEHONG BIO provides custom synthesis services for 4-(8-(isopentylthio)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.