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Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate
TL;DR: Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate (CAS 302954-91-2) is a chemical compound with molecular formula C20H12N2O6 and molecular weight 376.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate
Also Known As: Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate, BAS 00137316, Methyl 4-(4-nitro-1,8-naphthalimido)benzoate, methyl 4-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate, 4-(6-Nitro-1,3-dioxo-1H,3H-benzo[de]isoquinolin-2-yl)-benzoic acid methyl ester
| Molecular Formula | C20H12N2O6 |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.06955 |
| Heavy Atoms | 28 |
| Complexity | 681.0 |
Chemical Identifiers
| CAS Number | 302954-91-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O |
| InChIKey | FRPRPBKYCDNESQ-UHFFFAOYSA-N |
Product Overview
Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate (CAS 302954-91-2), with molecular formula C20H12N2O6 and molecular weight 376.07 g/mol. IUPAC: methyl 4-(6-nitro-1,3-dioxobenzo[de]isoquinolin-2-yl)benzoate.
Chemical Property Profile of Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate
Property Insights of Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate
The XLogP value of 3.4 indicates that Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate has 0 hydrogen bond donor(s) and 6 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-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate?
The CAS number of Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate is 302954-91-2.
What is the molecular formula of Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate?
The molecular formula of Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate is C20H12N2O6.
What is the molecular weight of Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate?
The molecular weight of Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate is 376.07 g/mol.
Where can I buy Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate?
You can request a quote for Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.