Isoquinoline, 4-(p-methoxybenzyl)-6,7-methylenedioxy-, methanesulfonate
TL;DR: Isoquinoline, 4-(p-methoxybenzyl)-6,7-methylenedioxy-, methanesulfonate (CAS 69382-26-9) is a chemical compound with molecular formula C19H19NO6S and molecular weight 389.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methanesulfonate;8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
Also Known As: 4-(p-Methoxybenzyl)-6,7-methylenedioxyisoquinoline methanesulfonate, ISOQUINOLINE, 4-(p-METHOXYBENZYL)-6,7-METHYLENEDIOXY-, METHANESULFONATE, methanesulfonate;8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-6-ium, 1,3-Dioxolo[4,5-g]isoquinoline, 8-[(4-methoxyphenyl)methyl]-, methanesulfonate, methanesulfonate; 8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
| Molecular Formula | C19H19NO6S |
|---|---|
| Molecular Weight | 389.09 g/mol |
| LogP | 2.14 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 389.09332 |
| Heavy Atoms | 27 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 69382-26-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=C[NH+]=CC3=CC4=C(C=C32)OCO4.CS(=O)(=O)[O-] |
| InChIKey | SXILJFKGVSNUAY-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 4-(p-methoxybenzyl)-6,7-methylenedioxy-, methanesulfonate (CAS 69382-26-9), with molecular formula C19H19NO6S and molecular weight 389.09 g/mol. IUPAC: methanesulfonate;8-[(4-methoxyphenyl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-6-ium.
Chemical Property Profile of Isoquinoline, 4-(p-methoxybenzyl)-6,7-methylenedioxy-, methanesulfonate
Property Insights of Isoquinoline, 4-(p-methoxybenzyl)-6,7-methylenedioxy-, methanesulfonate
The XLogP value of 2.14 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 4-(p-methoxybenzyl)-6,7-methylenedioxy-, methanesulfonate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoquinoline, 4-(p-methoxybenzyl)-6,7-methylenedioxy-, methanesulfonate. Following Lipinski's Rule of Five, Isoquinoline, 4-(p-methoxybenzyl)-6,7-methylenedioxy-, methanesulfonate has 1 hydrogen bond donor(s) and 6 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-(p-methoxybenzyl)-6,7-methylenedioxy-, methanesulfonate?
The CAS number of Isoquinoline, 4-(p-methoxybenzyl)-6,7-methylenedioxy-, methanesulfonate is 69382-26-9.
What is the molecular formula of Isoquinoline, 4-(p-methoxybenzyl)-6,7-methylenedioxy-, methanesulfonate?
The molecular formula of Isoquinoline, 4-(p-methoxybenzyl)-6,7-methylenedioxy-, methanesulfonate is C19H19NO6S.
What is the molecular weight of Isoquinoline, 4-(p-methoxybenzyl)-6,7-methylenedioxy-, methanesulfonate?
The molecular weight of Isoquinoline, 4-(p-methoxybenzyl)-6,7-methylenedioxy-, methanesulfonate is 389.09 g/mol.
Where can I buy Isoquinoline, 4-(p-methoxybenzyl)-6,7-methylenedioxy-, methanesulfonate?
You can request a quote for Isoquinoline, 4-(p-methoxybenzyl)-6,7-methylenedioxy-, 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-(p-methoxybenzyl)-6,7-methylenedioxy-, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 4-(p-methoxybenzyl)-6,7-methylenedioxy-, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.