Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate
TL;DR: Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate (CAS 61189-90-0) is a chemical compound with molecular formula C19H19Cl2NO5S and molecular weight 443.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,6-dichlorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium;methanesulfonate
Also Known As: 4-(2,6-Dichlorobenzyl)-6,7-dimethoxyisoquinoline methanesulfonate, ISOQUINOLINE, 4-(2,6-DICHLOROBENZYL)-6,7-DIMETHOXY-, METHANESULFONATE, 4-[(2,6-dichlorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium;methanesulfonate, 4-[(2,6-dichlorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium; methanesulfonate, Isoquinoline, 4-[(2,6-dichlorophenyl)methyl]-6,7-dimethoxy-, methanesulfonate
| Molecular Formula | C19H19Cl2NO5S |
|---|---|
| Molecular Weight | 443.04 g/mol |
| LogP | 3.73 |
| Topological Polar Surface Area | 98.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 443.0361 |
| Heavy Atoms | 28 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 61189-90-0 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=[NH+]C=C2CC3=C(C=CC=C3Cl)Cl)OC.CS(=O)(=O)[O-] |
| InChIKey | QJDSYHNAIJNRMN-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate (CAS 61189-90-0), with molecular formula C19H19Cl2NO5S and molecular weight 443.04 g/mol. IUPAC: 4-[(2,6-dichlorophenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium;methanesulfonate.
Chemical Property Profile of Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate
Property Insights of Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate
The XLogP value of 3.73 indicates that Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate. Following Lipinski's Rule of Five, Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate 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 Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate?
The CAS number of Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate is 61189-90-0.
What is the molecular formula of Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate?
The molecular formula of Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate is C19H19Cl2NO5S.
What is the molecular weight of Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate?
The molecular weight of Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate is 443.04 g/mol.
Where can I buy Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate?
You can request a quote for Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 4-(2,6-dichlorobenzyl)-6,7-dimethoxy-, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.