![methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate structure](/static/products/858/858745-44-5.png)
methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate
TL;DR: methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate (CAS 858745-44-5) is a chemical compound with molecular formula C25H28N2O7 and molecular weight 468.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate
Also Known As: methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate, Methyl 3-[[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxy-phenyl]carbamoyl]propanoate, methyl 4-((2-((6,7-dimethoxyisoquinolin-1-yl)methyl)-4,5-dimethoxyphenyl)amino)-4-oxobutanoate, methyl 4-({2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}amino)-4-oxobutanoate
| Molecular Formula | C25H28N2O7 |
|---|---|
| Molecular Weight | 468.19 g/mol |
| LogP | 3.7517 |
| Topological Polar Surface Area | 105.21 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 468.18964 |
| Heavy Atoms | 34 |
| Complexity | 1193.588 |
Chemical Identifiers
| CAS Number | 858745-44-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2CC3=CC(=C(C=C3NC(=O)CCC(=O)OC)OC)OC)OC |
Product Overview
methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate (CAS 858745-44-5), with molecular formula C25H28N2O7 and molecular weight 468.19 g/mol. IUPAC: methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate.
Chemical Property Profile of methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate
Property Insights of methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate
The XLogP value of 3.7517 indicates that methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.21 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate. Following Lipinski's Rule of Five, methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate has 1 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 methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate?
The CAS number of methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate is 858745-44-5.
What is the molecular formula of methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate?
The molecular formula of methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate is C25H28N2O7.
What is the molecular weight of methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate?
The molecular weight of methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate is 468.19 g/mol.
Where can I buy methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate?
You can request a quote for methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyanilino]-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.