![N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide structure](/static/products/716/716342-10-8.png)
N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide
TL;DR: N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide (CAS 716342-10-8) is a chemical compound with molecular formula C28H27N3O6S3 and molecular weight 597.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide
Also Known As: N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide, N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide, N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-2-(methylsulfanyl)-1,3-benzothiazole-6-sulfonamide
| Molecular Formula | C28H27N3O6S3 |
|---|---|
| Molecular Weight | 597.11 g/mol |
| LogP | 5.9924 |
| Topological Polar Surface Area | 108.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 597.1062 |
| Heavy Atoms | 40 |
| Complexity | 1821.998 |
Chemical Identifiers
| CAS Number | 716342-10-8 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NS(=O)(=O)C4=CC5=C(C=C4)N=C(S5)SC)OC)OC)OC |
Product Overview
N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide (CAS 716342-10-8), with molecular formula C28H27N3O6S3 and molecular weight 597.11 g/mol. IUPAC: N-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl]-2-methylsulfanyl-1,3-benzothiazole-6-sulfonamide.
Chemical Property Profile of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide
Property Insights of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide
The XLogP value of 5.9924 indicates that N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.87 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide. Following Lipinski's Rule of Five, N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide?
The CAS number of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide is 716342-10-8.
What is the molecular formula of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide?
The molecular formula of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide is C28H27N3O6S3.
What is the molecular weight of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide?
The molecular weight of N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide is 597.11 g/mol.
Where can I buy N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide?
You can request a quote for N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)-2-(methylthio)benzo[d]thiazole-6-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.