![methyl 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)benzoate structure](/static/products/5001/500198-91-4.webp)
methyl 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)benzoate
TL;DR: methyl 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)benzoate (CAS 500198-91-4) is a chemical compound with molecular formula C24H20N2O5 and molecular weight 416.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]benzoate
Also Known As: F1205-0004, methyl 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)benzoate, methyl 2-(4-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaen-3-yl}butanamido)benzoate, methyl 2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]benzoate, methyl 2-({4-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]butanoyl}amino)benzoate
| Molecular Formula | C24H20N2O5 |
|---|---|
| Molecular Weight | 416.14 g/mol |
| LogP | 3.6413 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.1372 |
| Heavy Atoms | 31 |
| Complexity | 1166.8202 |
Chemical Identifiers
| CAS Number | 500198-91-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O |
Product Overview
methyl 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)benzoate (CAS 500198-91-4), with molecular formula C24H20N2O5 and molecular weight 416.14 g/mol. IUPAC: methyl 2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylamino]benzoate.
Chemical Property Profile of methyl 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)benzoate
Property Insights of methyl 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)benzoate
The XLogP value of 3.6413 indicates that methyl 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)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-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)benzoate. Following Lipinski's Rule of Five, methyl 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)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-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)benzoate?
The CAS number of methyl 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)benzoate is 500198-91-4.
What is the molecular formula of methyl 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)benzoate?
The molecular formula of methyl 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)benzoate is C24H20N2O5.
What is the molecular weight of methyl 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)benzoate?
The molecular weight of methyl 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)benzoate is 416.14 g/mol.
Where can I buy methyl 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)benzoate?
You can request a quote for methyl 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)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-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.