![1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride structure](/static/products/1715/17159-58-9.webp)
1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride
TL;DR: 1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride (CAS 17159-58-9) is a chemical compound with molecular formula C24H30ClNO4 and molecular weight 431.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride
Also Known As: Papetherine, Consenil, Ethaquin, Neopavrin, Paveroid
| Molecular Formula | C24H30ClNO4 |
|---|---|
| Molecular Weight | 431.19 g/mol |
| LogP | 1.84 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 431.18634 |
| Heavy Atoms | 30 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 17159-58-9 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)CC2=[NH+]C=CC3=CC(=C(C=C32)OCC)OCC)OCC.[Cl-] |
| InChIKey | UPUDVKWQBVIKBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride (CAS 17159-58-9), with molecular formula C24H30ClNO4 and molecular weight 431.19 g/mol. IUPAC: 1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride.
Chemical Property Profile of 1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride
Property Insights of 1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride
The XLogP value of 1.84 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride. With a topological polar surface area (TPSA) of 51.1 Ų, 1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride has 1 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-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride?
The CAS number of 1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride is 17159-58-9.
What is the molecular formula of 1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride?
The molecular formula of 1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride is C24H30ClNO4.
What is the molecular weight of 1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride?
The molecular weight of 1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride is 431.19 g/mol.
Where can I buy 1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride?
You can request a quote for 1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-[(3,4-Diethoxyphenyl)methyl]-6,7-diethoxyisoquinolin-2-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.