![(3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one structure](/static/products/100/1008985-97-4.png)
(3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one
TL;DR: (3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one (CAS 1008985-97-4) is a chemical compound with molecular formula C24H31NO4 and molecular weight 397.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one
Also Known As: (3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one, (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one, (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one
| Molecular Formula | C24H31NO4 |
|---|---|
| Molecular Weight | 397.23 g/mol |
| LogP | 4.4607 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 397.2253 |
| Heavy Atoms | 29 |
| Complexity | 856.9269 |
Chemical Identifiers
| CAS Number | 1008985-97-4 |
|---|---|
| SMILES | CC1CC(=CCC1/C=C/C(=O)CC2C3=C(C4=C(C=C3CCN2C)OCO4)OC)C |
Product Overview
(3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one (CAS 1008985-97-4), with molecular formula C24H31NO4 and molecular weight 397.23 g/mol. IUPAC: (E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one.
Chemical Property Profile of (3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one
Property Insights of (3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one
The XLogP value of 4.4607 indicates that (3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)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 48.0 Ų, (3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one has 0 hydrogen bond donor(s) and 5 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)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one?
The CAS number of (3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one is 1008985-97-4.
What is the molecular formula of (3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one?
The molecular formula of (3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one is C24H31NO4.
What is the molecular weight of (3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one?
The molecular weight of (3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one is 397.23 g/mol.
Where can I buy (3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one?
You can request a quote for (3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)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)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one?
Yes, KEHONG BIO provides custom synthesis services for (3E)-4-(4,6-dimethylcyclohex-3-en-1-yl)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)but-3-en-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.