1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide
TL;DR: 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide (CAS 69259-69-4) is a chemical compound with molecular formula C14H18INO4 and molecular weight 391.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-8-yl) acetate iodide
Also Known As: 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide, (6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-8-yl) acetate iodide, 8-(Acetyloxy)-6,6-dimethyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium iodide
| Molecular Formula | C14H18INO4 |
|---|---|
| Molecular Weight | 391.03 g/mol |
| LogP | -1.3865 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 391.02805 |
| Heavy Atoms | 20 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 69259-69-4 |
|---|---|
| SMILES | CC(=O)OC1C[N+](CC2=CC3=C(C=C12)OCO3)(C)C.[I-] |
| InChIKey | QTQNQMVDXMBGMZ-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide (CAS 69259-69-4), with molecular formula C14H18INO4 and molecular weight 391.03 g/mol. IUPAC: (6,6-dimethyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-6-ium-8-yl) acetate iodide.
Chemical Property Profile of 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide
Property Insights of 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide
The XLogP value of -1.3865 indicates that 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.8 Ų, 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide 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 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide?
The CAS number of 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide is 69259-69-4.
What is the molecular formula of 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide?
The molecular formula of 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide is C14H18INO4.
What is the molecular weight of 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide?
The molecular weight of 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide is 391.03 g/mol.
Where can I buy 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide?
You can request a quote for 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolo(4,5-g)isoquinolinium, 8-(acetyloxy)-5,6,7,8-tetrahydro-6,6-dimethyl-, iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.