Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride
TL;DR: Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride (CAS 54071-97-5) is a chemical compound with molecular formula C32H35ClN2O8 and molecular weight 610.21 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] 2-(4-butoxyphenoxy)acetate;hydrochloride
Also Known As: Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride, [(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-butoxyphenoxy)acetate hydrochloride, RefChem:1089130
| Molecular Formula | C32H35ClN2O8 |
|---|---|
| Molecular Weight | 610.21 g/mol |
| LogP | 6.2445 |
| Topological Polar Surface Area | 106.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 610.2082 |
| Heavy Atoms | 43 |
| Complexity | 1542.9313 |
Chemical Identifiers
| CAS Number | 54071-97-5 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)OCC(=O)O/N=C(/C2=CC(=C(C=C2)OC)OC)\C3=NC=CC4=CC(=C(C=C43)OC)OC.Cl |
Product Overview
Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride (CAS 54071-97-5), with molecular formula C32H35ClN2O8 and molecular weight 610.21 g/mol. IUPAC: [(Z)-[(6,7-dimethoxyisoquinolin-1-yl)-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-butoxyphenoxy)acetate;hydrochloride.
Chemical Property Profile of Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride
Property Insights of Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride
The XLogP value of 6.2445 indicates that Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride. Following Lipinski's Rule of Five, Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride has 0 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 Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride?
The CAS number of Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride is 54071-97-5.
What is the molecular formula of Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride?
The molecular formula of Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride is C32H35ClN2O8.
What is the molecular weight of Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride?
The molecular weight of Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride is 610.21 g/mol.
Where can I buy Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride?
You can request a quote for Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)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-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Methanone, (6,7-dimethoxy-1-isoquinolinyl)(3,4-dimethoxyphenyl)-, O-((4-butoxyphenoxy)acetyl)oxime, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.