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(2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one structure
Fine Chemical

(2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one

TL;DR: (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one (CAS 1383425-77-1) is a chemical compound with molecular formula C23H25NO6 and molecular weight 411.16818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one

Also Known As: (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one, (E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one, (E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one

CAS Number
1383425-77-1
Molecular Formula
C23H25NO6
Molecular Weight
411.16818 g/mol
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Technical Specifications

Molecular FormulaC23H25NO6
Molecular Weight411.16818 g/mol
XLogP3.3
Topological Polar Surface Area (TPSA)66.5 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors7
Rotatable Bonds6
Exact Mass411.16818 Da
Heavy Atoms30
Complexity627.0
SMILESCN1CCC2=C(C1)C(=C3C(=C2C(=O)/C=C/C4=C(C=CC(=C4)OC)OC)OCO3)OC
InChIKeyDYKUMLUGQABQSQ-FNORWQNLSA-N

Chemical Property Profile of (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one

XLogP
3.3
TPSA (Topological Polar Surface Area)
66.5
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
Rotatable Bonds
6
Heavy Atoms
30
Complexity
627.0
Exact Mass
411.16818
Monoisotopic Mass
411.16818
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one

The XLogP value of 3.3 indicates that (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one. Following Lipinski's Rule of Five, (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one 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

What is the CAS number of (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one?

The CAS number of (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one is 1383425-77-1.

What is the molecular formula of (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one?

The molecular formula of (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one is C23H25NO6.

What is the molecular weight of (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one?

The molecular weight of (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one is 411.16818 g/mol.

Where can I buy (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one?

You can request a quote for (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one?

Yes, CoreyChem provides custom synthesis services for (2E)-3-(2,5-dimethoxyphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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