![ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate structure](/static/products/896/896812-39-8.png)
ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
TL;DR: ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 896812-39-8) is a chemical compound with molecular formula C25H27N3O5S and molecular weight 481.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C25H27N3O5S |
|---|---|
| Molecular Weight | 481.17 g/mol |
| LogP | 4.3442 |
| Topological Polar Surface Area | 91.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.16714 |
| Heavy Atoms | 34 |
| Complexity | 1327.0609 |
Chemical Identifiers
| CAS Number | 896812-39-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC3=NC(=O)N4CCC5=CC(=C(C=C5C4=C3)OC)OC |
Product Overview
ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 896812-39-8), with molecular formula C25H27N3O5S and molecular weight 481.17 g/mol. IUPAC: ethyl 2-[(9,10-dimethoxy-4-oxo-6,7-dihydropyrimido[6,1-a]isoquinolin-2-yl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Property Insights of ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
The XLogP value of 4.3442 indicates that ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.68 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate has 1 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 ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The CAS number of ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 896812-39-8.
What is the molecular formula of ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular formula of ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is C25H27N3O5S.
What is the molecular weight of ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
The molecular weight of ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate is 481.17 g/mol.
Where can I buy ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
You can request a quote for ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((9,10-dimethoxy-4-oxo-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-2-yl)amino)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.