![5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium structure](/static/products/1030/1030937-30-4.webp)
5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium
TL;DR: 5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium (CAS 1030937-30-4) is a chemical compound with molecular formula C19H28NO4+ and molecular weight 334.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-3,3-dimethylbutan-2-one
Also Known As: 5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium, 1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-3,3-dimethylbutan-2-one, 5-(3,3-Dimethyl-2-oxobutyl)-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 5-(3,3-dimethyl-2-oxobutyl)-4-methoxy-6,6-dimethyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-6-ium
| Molecular Formula | C19H28NO4+ |
|---|---|
| Molecular Weight | 334.20 g/mol |
| LogP | 3.1028 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.20184 |
| Heavy Atoms | 24 |
| Complexity | 672.92487 |
Chemical Identifiers
| CAS Number | 1030937-30-4 |
|---|---|
| SMILES | CC(C)(C)C(=O)CC1C2=C(C3=C(C=C2CC[N+]1(C)C)OCO3)OC |
Product Overview
5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium (CAS 1030937-30-4), with molecular formula C19H28NO4+ and molecular weight 334.20 g/mol. IUPAC: 1-(4-methoxy-6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-5-yl)-3,3-dimethylbutan-2-one.
Chemical Property Profile of 5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium
Property Insights of 5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium
The XLogP value of 3.1028 indicates that 5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, 5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium has 0 hydrogen bond donor(s) and 4 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 5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium?
The CAS number of 5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium is 1030937-30-4.
What is the molecular formula of 5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium?
The molecular formula of 5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium is C19H28NO4+.
What is the molecular weight of 5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium?
The molecular weight of 5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium is 334.20 g/mol.
Where can I buy 5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium?
You can request a quote for 5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,3-Dimethyl-2-oxobutyl)-5,6,7,8-tetrahydro-4-methoxy-6,6-dimethyl-1,3-dioxolo[4,5-g]isoquinolinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.