1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride
TL;DR: 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride (CAS 6429-04-5) is a chemical compound with molecular formula C20H26ClNO4 and molecular weight 379.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: Tetrahydropapaverine hydrochloride, Tetrahrdropapaverine Hydrochloride, Papaverine, 1,2,3,4-tetrahydro-, hydrochloride, 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride, 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
| Molecular Formula | C20H26ClNO4 |
|---|---|
| Molecular Weight | 379.16 g/mol |
| LogP | -0.87 |
| Topological Polar Surface Area | 53.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.15503 |
| Heavy Atoms | 26 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 6429-04-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2C3=CC(=C(C=C3CC[NH2+]2)OC)OC)OC.[Cl-] |
| InChIKey | VMPLLPIDRGXFTQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride (CAS 6429-04-5), with molecular formula C20H26ClNO4 and molecular weight 379.16 g/mol. IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride.
Chemical Property Profile of 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride
Property Insights of 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride
The XLogP value of -0.87 indicates that 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 53.5 Ų, 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium 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-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride?
The CAS number of 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride is 6429-04-5.
What is the molecular formula of 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride?
The molecular formula of 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride is C20H26ClNO4.
What is the molecular weight of 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride?
The molecular weight of 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride is 379.16 g/mol.
Where can I buy 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride?
You can request a quote for 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium 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-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dimethoxybenzyl)-1,2,3,4-tetrahydro-6,7-dimethoxyisoquinolinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.