![2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one structure](/static/products/858/858757-08-1.png)
2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
TL;DR: 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one (CAS 858757-08-1) is a chemical compound with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-ylmethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one
Also Known As: 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one, 2-(1,3-benzodioxol-5-ylmethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one, 2-[(1,3-benzodioxol-5-ylmethyl)amino]-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
| Molecular Formula | C22H21N3O5 |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | 2.8244 |
| Topological Polar Surface Area | 83.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.14813 |
| Heavy Atoms | 30 |
| Complexity | 1188.121 |
Chemical Identifiers
| CAS Number | 858757-08-1 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCN3C2=CC(=NC3=O)NCC4=CC5=C(C=C4)OCO5)OC |
Product Overview
2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one (CAS 858757-08-1), with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylamino)-9,10-dimethoxy-6,7-dihydropyrimido[6,1-a]isoquinolin-4-one.
Chemical Property Profile of 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
Property Insights of 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one
The XLogP value of 2.8244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one. The TPSA of 83.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one. Following Lipinski's Rule of Five, 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one has 1 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 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one?
The CAS number of 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one is 858757-08-1.
What is the molecular formula of 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one?
The molecular formula of 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one is C22H21N3O5.
What is the molecular weight of 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one?
The molecular weight of 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one is 407.15 g/mol.
Where can I buy 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one?
You can request a quote for 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((benzo[d][1,3]dioxol-5-ylmethyl)amino)-9,10-dimethoxy-6,7-dihydro-4H-pyrimido[6,1-a]isoquinolin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.