![2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone structure](/static/products/902/902322-19-4.png)
2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
TL;DR: 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone (CAS 902322-19-4) is a chemical compound with molecular formula C25H31N3O5 and molecular weight 453.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
Also Known As: 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
| Molecular Formula | C25H31N3O5 |
|---|---|
| Molecular Weight | 453.23 g/mol |
| LogP | 2.135 |
| Topological Polar Surface Area | 63.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.22638 |
| Heavy Atoms | 33 |
| Complexity | 1019.3422 |
Chemical Identifiers
| CAS Number | 902322-19-4 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C(=O)CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5)OC |
Product Overview
2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone (CAS 902322-19-4), with molecular formula C25H31N3O5 and molecular weight 453.23 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
Chemical Property Profile of 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Property Insights of 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
The XLogP value of 2.135 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone. The TPSA of 63.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone. Following Lipinski's Rule of Five, 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone has 0 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-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
The CAS number of 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone is 902322-19-4.
What is the molecular formula of 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
The molecular formula of 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone is C25H31N3O5.
What is the molecular weight of 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
The molecular weight of 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone is 453.23 g/mol.
Where can I buy 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
You can request a quote for 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.