(E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-benzoyl oxime
TL;DR: (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-benzoyl oxime (CAS 725692-31-9) is a chemical compound with molecular formula C27H24N2O6 and molecular weight 472.16 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] benzoate
Also Known As: (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-benzoyl oxime, [(E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] benzoate, [[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] Benzoate, ({[(E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methylidene]amino}oxy)(phenyl)methanone
| Molecular Formula | C27H24N2O6 |
|---|---|
| Molecular Weight | 472.16 g/mol |
| LogP | 4.8786 |
| Topological Polar Surface Area | 88.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 472.16342 |
| Heavy Atoms | 35 |
| Complexity | 1385.5833 |
Chemical Identifiers
| CAS Number | 725692-31-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C(=N\OC(=O)C2=CC=CC=C2)/C3=NC=CC4=CC(=C(C=C43)OC)OC)OC |
Product Overview
(E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-benzoyl oxime (CAS 725692-31-9), with molecular formula C27H24N2O6 and molecular weight 472.16 g/mol. IUPAC: [(E)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] benzoate.
Chemical Property Profile of (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-benzoyl oxime
Property Insights of (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-benzoyl oxime
The XLogP value of 4.8786 indicates that (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-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 (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-benzoyl oxime. Following Lipinski's Rule of Five, (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-benzoyl oxime has 0 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 (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-benzoyl oxime?
The CAS number of (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-benzoyl oxime is 725692-31-9.
What is the molecular formula of (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-benzoyl oxime?
The molecular formula of (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-benzoyl oxime is C27H24N2O6.
What is the molecular weight of (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-benzoyl oxime?
The molecular weight of (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-benzoyl oxime is 472.16 g/mol.
Where can I buy (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-benzoyl oxime?
You can request a quote for (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-benzoyl 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-benzoyl oxime?
Yes, KEHONG BIO provides custom synthesis services for (E)-(6,7-dimethoxyisoquinolin-1-yl)(3,4-dimethoxyphenyl)methanone O-benzoyl oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.