Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate
TL;DR: Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate (CAS 61189-95-5) is a chemical compound with molecular formula C20H21NO7S and molecular weight 419.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinolin-2-ium;methanesulfonate
Also Known As: 6,7-Dimethoxy-4-(3,4-methylenedioxybenzyl)isoquinoline methanesulfonate, ISOQUINOLINE, 6,7-DIMETHOXY-4-(3,4-METHYLENEDIOXYBENZYL)-, METHANESULFONATE, 4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinolin-2-ium;methanesulfonate, 4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinolin-2-ium,methanesulfonate, 4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinolin-2-ium; methanesulfonate
| Molecular Formula | C20H21NO7S |
|---|---|
| Molecular Weight | 419.10 g/mol |
| LogP | 2.15 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 419.10388 |
| Heavy Atoms | 29 |
| Complexity | 499.0 |
Chemical Identifiers
| CAS Number | 61189-95-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=[NH+]C=C2CC3=CC4=C(C=C3)OCO4)OC.CS(=O)(=O)[O-] |
| InChIKey | GDLKKPBIESAWHJ-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate (CAS 61189-95-5), with molecular formula C20H21NO7S and molecular weight 419.10 g/mol. IUPAC: 4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinolin-2-ium;methanesulfonate.
Chemical Property Profile of Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate
Property Insights of Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate
The XLogP value of 2.15 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate. Following Lipinski's Rule of Five, Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate has 1 hydrogen bond donor(s) and 7 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, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate?
The CAS number of Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate is 61189-95-5.
What is the molecular formula of Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate?
The molecular formula of Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate is C20H21NO7S.
What is the molecular weight of Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate?
The molecular weight of Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate is 419.10 g/mol.
Where can I buy Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate?
You can request a quote for Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 6,7-dimethoxy-4-(3,4-methylenedioxybenzyl)-, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.