![3-((5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol structure](/static/products/577/577787-54-3.png)
3-((5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol
TL;DR: 3-((5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol (CAS 577787-54-3) is a chemical compound with molecular formula C21H27N5OS and molecular weight 397.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(8-piperidin-1-yl-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-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol, 3-{[5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]amino}propan-1-ol
| Molecular Formula | C21H27N5OS |
|---|---|
| Molecular Weight | 397.19 g/mol |
| LogP | 3.9029 |
| Topological Polar Surface Area | 74.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.19363 |
| Heavy Atoms | 28 |
| Complexity | 995.52905 |
Chemical Identifiers
| CAS Number | 577787-54-3 |
|---|---|
| SMILES | C1CCN(CC1)C2=NC3=C(C4=C2CCCC4)C5=C(S3)C(=NC=N5)NCCCO |
Product Overview
3-((5-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol (CAS 577787-54-3), with molecular formula C21H27N5OS and molecular weight 397.19 g/mol. IUPAC: 3-[(8-piperidin-1-yl-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-(piperidin-1-yl)-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-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol
The XLogP value of 3.9029 indicates that 3-((5-(piperidin-1-yl)-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 74.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((5-(piperidin-1-yl)-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-(piperidin-1-yl)-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 7 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-(piperidin-1-yl)-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-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol is 577787-54-3.
What is the molecular formula of 3-((5-(piperidin-1-yl)-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-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol is C21H27N5OS.
What is the molecular weight of 3-((5-(piperidin-1-yl)-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-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)amino)propan-1-ol is 397.19 g/mol.
Where can I buy 3-((5-(piperidin-1-yl)-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-(piperidin-1-yl)-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-(piperidin-1-yl)-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-(piperidin-1-yl)-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.