![(3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one structure](/static/products/376/376381-07-6.png)
(3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one
TL;DR: (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one (CAS 376381-07-6) is a chemical compound with molecular formula C26H31NO5 and molecular weight 437.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one
Also Known As: (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one, (E)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one, (E)-4-(4-methoxy-2,3,6-trimethylphenyl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one
| Molecular Formula | C26H31NO5 |
|---|---|
| Molecular Weight | 437.22 g/mol |
| LogP | 4.55936 |
| Topological Polar Surface Area | 57.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.2202 |
| Heavy Atoms | 32 |
| Complexity | 1088.6005 |
Chemical Identifiers
| CAS Number | 376381-07-6 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1/C=C/C(=O)CC2C3=C(C4=C(C=C3CCN2C)OCO4)OC)C)C)OC |
Product Overview
(3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one (CAS 376381-07-6), with molecular formula C26H31NO5 and molecular weight 437.22 g/mol. IUPAC: (E)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one.
Chemical Property Profile of (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one
Property Insights of (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one
The XLogP value of 4.55936 indicates that (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.23 Ų, (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one has 0 hydrogen bond donor(s) and 6 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 (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one?
The CAS number of (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one is 376381-07-6.
What is the molecular formula of (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one?
The molecular formula of (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one is C26H31NO5.
What is the molecular weight of (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one?
The molecular weight of (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one is 437.22 g/mol.
Where can I buy (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one?
You can request a quote for (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-4-(4-methoxy-2,3,6-trimethylphenyl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.