Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate
TL;DR: Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate (CAS 61189-94-4) is a chemical compound with molecular formula C22H27NO8S and molecular weight 465.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-4-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium;methanesulfonate
Also Known As: 6,7-Dimethoxy-4-(3,4,5-trimethoxybenzyl)isoquinoline methanesulfonate, ISOQUINOLINE, 6,7-DIMETHOXY-4-(3,4,5-TRIMETHOXYBENZYL)-, METHANESULFONATE, 6,7-dimethoxy-4-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium;methanesulfonate, 6,7-dimethoxy-4-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium; methanesulfonate, Isoquinoline, 6,7-dimethoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-,methanesulfonate
| Molecular Formula | C22H27NO8S |
|---|---|
| Molecular Weight | 465.15 g/mol |
| LogP | 2.45 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 465.14575 |
| Heavy Atoms | 32 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 61189-94-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)CC2=C[NH+]=CC3=CC(=C(C=C32)OC)OC.CS(=O)(=O)[O-] |
| InChIKey | BFHKEYVSEXRSNV-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate (CAS 61189-94-4), with molecular formula C22H27NO8S and molecular weight 465.15 g/mol. IUPAC: 6,7-dimethoxy-4-[(3,4,5-trimethoxyphenyl)methyl]isoquinolin-2-ium;methanesulfonate.
Chemical Property Profile of Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate
Property Insights of Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate
The XLogP value of 2.45 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate. Following Lipinski's Rule of Five, Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate has 1 hydrogen bond donor(s) and 8 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-(3,4,5-trimethoxybenzyl)-, methanesulfonate?
The CAS number of Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate is 61189-94-4.
What is the molecular formula of Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate?
The molecular formula of Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate is C22H27NO8S.
What is the molecular weight of Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate?
The molecular weight of Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate is 465.15 g/mol.
Where can I buy Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate?
You can request a quote for Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, 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-(3,4,5-trimethoxybenzyl)-, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 6,7-dimethoxy-4-(3,4,5-trimethoxybenzyl)-, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.