Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, methanesulfonate
TL;DR: Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, methanesulfonate (CAS 61189-93-3) is a chemical compound with molecular formula C21H25NO7S and molecular weight 435.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium;methanesulfonate
Also Known As: 6,7-Dimethoxy-4-(3,4-dimethoxybenzyl)isoquinoline methanesulfonate, ISOQUINOLINE, 6,7-DIMETHOXY-4-(3,4-DIMETHOXYBENZYL)-, METHANESULFONATE, 4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium; methanesulfonate, Isoquinoline, 4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-, methanesulfonate, RefChem:350053
| Molecular Formula | C21H25NO7S |
|---|---|
| Molecular Weight | 435.14 g/mol |
| LogP | 2.44 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 435.13516 |
| Heavy Atoms | 30 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 61189-93-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC2=C[NH+]=CC3=CC(=C(C=C32)OC)OC)OC.CS(=O)(=O)[O-] |
| InChIKey | AAHDTBUXPGQCEJ-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, methanesulfonate (CAS 61189-93-3), with molecular formula C21H25NO7S and molecular weight 435.14 g/mol. IUPAC: 4-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinolin-2-ium;methanesulfonate.
Chemical Property Profile of Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, methanesulfonate
Property Insights of Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, methanesulfonate
The XLogP value of 2.44 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, 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-dimethoxybenzyl)-, methanesulfonate. Following Lipinski's Rule of Five, Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, 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-dimethoxybenzyl)-, methanesulfonate?
The CAS number of Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, methanesulfonate is 61189-93-3.
What is the molecular formula of Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, methanesulfonate?
The molecular formula of Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, methanesulfonate is C21H25NO7S.
What is the molecular weight of Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, methanesulfonate?
The molecular weight of Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, methanesulfonate is 435.14 g/mol.
Where can I buy Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, methanesulfonate?
You can request a quote for Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, 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-dimethoxybenzyl)-, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 6,7-dimethoxy-4-(3,4-dimethoxybenzyl)-, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.