![methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate structure](/static/products/4384/438481-62-0.webp)
methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate
TL;DR: methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate (CAS 438481-62-0) is a chemical compound with molecular formula C26H24N2O5 and molecular weight 444.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoylamino]benzoate
Also Known As: methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate, F1169-0006, methyl 2-[6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoylamino]benzoate, methyl 2-(6-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}hexanamido)benzoate, methyl 2-{[6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanoyl]amino}benzoate
| Molecular Formula | C26H24N2O5 |
|---|---|
| Molecular Weight | 444.17 g/mol |
| LogP | 4.4215 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 444.16852 |
| Heavy Atoms | 33 |
| Complexity | 1199.6658 |
Chemical Identifiers
| CAS Number | 438481-62-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CCCCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate (CAS 438481-62-0), with molecular formula C26H24N2O5 and molecular weight 444.17 g/mol. IUPAC: methyl 2-[6-(1,3-dioxobenzo[de]isoquinolin-2-yl)hexanoylamino]benzoate.
Chemical Property Profile of methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate
Property Insights of methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate
The XLogP value of 4.4215 indicates that methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate. Following Lipinski's Rule of Five, methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate has 1 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 methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate?
The CAS number of methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate is 438481-62-0.
What is the molecular formula of methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate?
The molecular formula of methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate is C26H24N2O5.
What is the molecular weight of methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate?
The molecular weight of methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate is 444.17 g/mol.
Where can I buy methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate?
You can request a quote for methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(6-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)hexanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.