![3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol structure](/static/products/372/372082-96-7.png)
3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol
TL;DR: 3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol (CAS 372082-96-7) is a chemical compound with molecular formula C18H22N4OS and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(8-ethyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)amino]propan-1-ol
Also Known As: 3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol, 3-[(5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino]propan-1-ol
| Molecular Formula | C18H22N4OS |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 3.475 |
| Topological Polar Surface Area | 70.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.15143 |
| Heavy Atoms | 24 |
| Complexity | 889.7279 |
Chemical Identifiers
| CAS Number | 372082-96-7 |
|---|---|
| SMILES | CCC1=NC2=C(C3=C1CCCC3)C4=C(S2)C(=NC=N4)NCCCO |
Product Overview
3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol (CAS 372082-96-7), with molecular formula C18H22N4OS and molecular weight 342.15 g/mol. IUPAC: 3-[(8-ethyl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)amino]propan-1-ol.
Chemical Property Profile of 3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol
Property Insights of 3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol
The XLogP value of 3.475 indicates that 3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol. Following Lipinski's Rule of Five, 3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol has 2 hydrogen bond donor(s) and 6 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 3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol?
The CAS number of 3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol is 372082-96-7.
What is the molecular formula of 3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol?
The molecular formula of 3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol is C18H22N4OS.
What is the molecular weight of 3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol?
The molecular weight of 3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol is 342.15 g/mol.
Where can I buy 3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol?
You can request a quote for 3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-((5-ethyl-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.