![ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate structure](/static/products/850/850907-41-4.png)
ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate
TL;DR: ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate (CAS 850907-41-4) is a chemical compound with molecular formula C26H31N3O5 and molecular weight 465.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[2-[[2-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetyl]piperazine-1-carboxylate
Also Known As: ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate, ethyl 4-(2-((2-(3-methylbenzyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl)oxy)acetyl)piperazine-1-carboxylate, ethyl 4-[2-[[2-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetyl]piperazine-1-carboxylate
| Molecular Formula | C26H31N3O5 |
|---|---|
| Molecular Weight | 465.23 g/mol |
| LogP | 2.87302 |
| Topological Polar Surface Area | 79.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.22638 |
| Heavy Atoms | 34 |
| Complexity | 1062.1516 |
Chemical Identifiers
| CAS Number | 850907-41-4 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)C(=O)COC2=CC=CC3=C2CCN(C3=O)CC4=CC=CC(=C4)C |
Product Overview
ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate (CAS 850907-41-4), with molecular formula C26H31N3O5 and molecular weight 465.23 g/mol. IUPAC: ethyl 4-[2-[[2-[(3-methylphenyl)methyl]-1-oxo-3,4-dihydroisoquinolin-5-yl]oxy]acetyl]piperazine-1-carboxylate.
Chemical Property Profile of ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate
Property Insights of ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate
The XLogP value of 2.87302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate. The TPSA of 79.39 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate. Following Lipinski's Rule of Five, ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 5 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 ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate?
The CAS number of ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate is 850907-41-4.
What is the molecular formula of ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate?
The molecular formula of ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate is C26H31N3O5.
What is the molecular weight of ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate?
The molecular weight of ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate is 465.23 g/mol.
Where can I buy ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate?
You can request a quote for ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[2-({2-[(3-methylphenyl)methyl]-1-oxo-1,2,3,4-tetrahydroisoquinolin-5-yl}oxy)acetyl]piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.