Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl-
TL;DR: Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl- (CAS 87332-68-1) is a chemical compound with molecular formula C21H28NO4+ and molecular weight 358.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6-ol
Also Known As: Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl-, 1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-6-ol, 1-[(3,4-Dimethoxyphenyl)methyl]-6-hydroxy-7-methoxy-2,2-dimethyl-1,2,3,4-tetrahydroisoquinolin-2-ium, 1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6-ol
| Molecular Formula | C21H28NO4+ |
|---|---|
| Molecular Weight | 358.20 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.20184 |
| Heavy Atoms | 26 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 87332-68-1 |
|---|---|
| SMILES | C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)O)C |
| InChIKey | VDGYRASFPNRLPJ-UHFFFAOYSA-O |
Product Overview
Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl- (CAS 87332-68-1), with molecular formula C21H28NO4+ and molecular weight 358.20 g/mol. IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-7-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-6-ol.
Chemical Property Profile of Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl-
Property Insights of Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl-
The XLogP value of 3.4 indicates that Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl- has 1 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 Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl-?
The CAS number of Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl- is 87332-68-1.
What is the molecular formula of Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl-?
The molecular formula of Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl- is C21H28NO4+.
What is the molecular weight of Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl-?
The molecular weight of Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl- is 358.20 g/mol.
Where can I buy Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl-?
You can request a quote for Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolinium, 1-((3,4-dimethoxyphenyl)methyl)-1,2,3,4-tetrahydro-6-hydroxy-7-methoxy-2,2-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.