(Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime
TL;DR: (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime (CAS 892630-72-7) is a chemical compound with molecular formula C28H25ClN2O6S and molecular weight 552.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] 5-chloro-2-methylsulfanylbenzoate
Also Known As: (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime, [(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] 5-chloro-2-methylsulfanylbenzoate, [5-chloro-2-(methylsulfanyl)phenyl]({[(Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methylidene]amino}oxy)methanone
| Molecular Formula | C28H25ClN2O6S |
|---|---|
| Molecular Weight | 552.11 g/mol |
| LogP | 6.2539 |
| Topological Polar Surface Area | 88.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 552.1122 |
| Heavy Atoms | 38 |
| Complexity | 1525.2437 |
Chemical Identifiers
| CAS Number | 892630-72-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C(=N/OC(=O)C2=C(C=CC(=C2)Cl)SC)/C3=NC=CC4=CC(=C(C=C43)OC)OC)OC |
Product Overview
(Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime (CAS 892630-72-7), with molecular formula C28H25ClN2O6S and molecular weight 552.11 g/mol. IUPAC: [(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] 5-chloro-2-methylsulfanylbenzoate.
Chemical Property Profile of (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime
Property Insights of (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime
The XLogP value of 6.2539 indicates that (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime. Following Lipinski's Rule of Five, (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime?
The CAS number of (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime is 892630-72-7.
What is the molecular formula of (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime?
The molecular formula of (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime is C28H25ClN2O6S.
What is the molecular weight of (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime?
The molecular weight of (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime is 552.11 g/mol.
Where can I buy (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime?
You can request a quote for (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime?
Yes, KEHONG BIO provides custom synthesis services for (Z)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(5-chloro-2-(methylthio)benzoyl) oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.