Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride
TL;DR: Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride (CAS 54022-74-1) is a chemical compound with molecular formula C30H31ClN2O9 and molecular weight 598.17 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] 3,4,5-trimethoxybenzoate;hydrochloride
Also Known As: Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride, [(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] 3,4,5-trimethoxybenzoate hydrochloride, RefChem:1089132
| Molecular Formula | C30H31ClN2O9 |
|---|---|
| Molecular Weight | 598.17 g/mol |
| LogP | 5.3262 |
| Topological Polar Surface Area | 116.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 598.1718 |
| Heavy Atoms | 42 |
| Complexity | 1582.7577 |
Chemical Identifiers
| CAS Number | 54022-74-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C(=N/OC(=O)C2=CC(=C(C(=C2)OC)OC)OC)/C3=NC=CC4=CC(=C(C=C43)OC)OC)OC.Cl |
Product Overview
Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride (CAS 54022-74-1), with molecular formula C30H31ClN2O9 and molecular weight 598.17 g/mol. IUPAC: [(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] 3,4,5-trimethoxybenzoate;hydrochloride.
Chemical Property Profile of Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride
Property Insights of Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride
The XLogP value of 5.3262 indicates that Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.16 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride. Following Lipinski's Rule of Five, Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride?
The CAS number of Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride is 54022-74-1.
What is the molecular formula of Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride?
The molecular formula of Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride is C30H31ClN2O9.
What is the molecular weight of Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride?
The molecular weight of Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride is 598.17 g/mol.
Where can I buy Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride?
You can request a quote for Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-(3,4,5-trimethoxybenzoyl)oxime, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.