Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)-
TL;DR: Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)- (CAS 119952-73-7) is a chemical compound with molecular formula C23H30INO4 and molecular weight 511.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-ethenyl-4,5-dimethoxyphenyl)-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide
Also Known As: Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)-, Isoquinolinium, 3-(2-ethenyl-4,5-dimethoxyphenyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-, iodide, (+-)-, 3-(2-Ethenyl-4,5-dimethoxyphenyl)-6,7-dimethoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium iodide, 3-(2-ethenyl-4,5-dimethoxy-phenyl)-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinoline Iodide, 3-(2-ethenyl-4,5-dimethoxyphenyl)-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide
| Molecular Formula | C23H30INO4 |
|---|---|
| Molecular Weight | 511.12 g/mol |
| LogP | 1.2418 |
| Topological Polar Surface Area | 36.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 511.12195 |
| Heavy Atoms | 29 |
| Complexity | 894.93195 |
Chemical Identifiers
| CAS Number | 119952-73-7 |
|---|---|
| SMILES | C[N+]1(CC2=CC(=C(C=C2CC1C3=CC(=C(C=C3C=C)OC)OC)OC)OC)C.[I-] |
Product Overview
Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)- (CAS 119952-73-7), with molecular formula C23H30INO4 and molecular weight 511.12 g/mol. IUPAC: 3-(2-ethenyl-4,5-dimethoxyphenyl)-6,7-dimethoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium iodide.
Chemical Property Profile of Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)-
Property Insights of Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)-
The XLogP value of 1.2418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)-. With a topological polar surface area (TPSA) of 36.92 Ų, Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)-?
The CAS number of Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)- is 119952-73-7.
What is the molecular formula of Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)-?
The molecular formula of Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)- is C23H30INO4.
What is the molecular weight of Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)-?
The molecular weight of Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)- is 511.12 g/mol.
Where can I buy Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)-?
You can request a quote for Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolinium, 1,2,3,4-tetrahydro-6,7-dimethoxy-2,2-dimethyl-3-(2-ethenyl-4,5-dimethoxyphenyl)-, iodide, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.