(E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime
TL;DR: (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime (CAS 858746-33-5) is a chemical compound with molecular formula C27H23BrN2O6 and molecular weight 550.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] 2-bromobenzoate
Also Known As: (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime, (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl)oxime, [[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] 2-bromobenzoate, (2-bromophenyl)({[(E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methylidene]amino}oxy)methanone, [(E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] 2-bromobenzoate
| Molecular Formula | C27H23BrN2O6 |
|---|---|
| Molecular Weight | 550.07 g/mol |
| LogP | 5.6411 |
| Topological Polar Surface Area | 88.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 550.074 |
| Heavy Atoms | 36 |
| Complexity | 1453.9059 |
Chemical Identifiers
| CAS Number | 858746-33-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C(=N\OC(=O)C2=CC=CC=C2Br)/C3=NC=CC4=CC(=C(C=C43)OC)OC)OC |
Product Overview
(E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime (CAS 858746-33-5), with molecular formula C27H23BrN2O6 and molecular weight 550.07 g/mol. IUPAC: [(E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] 2-bromobenzoate.
Chemical Property Profile of (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime
Property Insights of (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime
The XLogP value of 5.6411 indicates that (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) 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 (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime. Following Lipinski's Rule of Five, (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime?
The CAS number of (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime is 858746-33-5.
What is the molecular formula of (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime?
The molecular formula of (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime is C27H23BrN2O6.
What is the molecular weight of (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime?
The molecular weight of (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime is 550.07 g/mol.
Where can I buy (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime?
You can request a quote for (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime?
Yes, KEHONG BIO provides custom synthesis services for (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-(2-bromobenzoyl) oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.