Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride
TL;DR: Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride (CAS 20226-05-5) is a chemical compound with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride
Also Known As: 1,2,3,4-Tetrahydro-1-benzyl-6,7-dimethoxyisoquinoline hydrochloride, ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-1-BENZYL-6,7-DIMETHOXY-, HYDROCHLORIDE, 1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride, 1-BENZYL-6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE HYDROCHLORIDE, RefChem:1087708
| Molecular Formula | C18H22ClNO2 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | -0.89 |
| Topological Polar Surface Area | 35.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.1339 |
| Heavy Atoms | 22 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 20226-05-5 |
|---|---|
| SMILES | COC1=C(C=C2C([NH2+]CCC2=C1)CC3=CC=CC=C3)OC.[Cl-] |
| InChIKey | DNQXTZKEFIGUGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride (CAS 20226-05-5), with molecular formula C18H22ClNO2 and molecular weight 319.13 g/mol. IUPAC: 1-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium chloride.
Chemical Property Profile of Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride
Property Insights of Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride
The XLogP value of -0.89 indicates that Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 35.1 Ų, Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride has 1 hydrogen bond donor(s) and 3 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 Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride?
The CAS number of Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride is 20226-05-5.
What is the molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride?
The molecular formula of Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride is C18H22ClNO2.
What is the molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride?
The molecular weight of Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride is 319.13 g/mol.
Where can I buy Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride?
You can request a quote for Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 1,2,3,4-tetrahydro-1-benzyl-6,7-dimethoxy-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.