![2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate structure](/static/products/462/462072-28-2.png)
2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate
TL;DR: 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate (CAS 462072-28-2) is a chemical compound with molecular formula C25H18N2O7 and molecular weight 458.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-nitrophenyl)-2-oxoethyl] 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propanoate
Also Known As: 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate, 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-6,7-dihydro-1H-indeno[6,7,1-def]isoquinolin-2(3H)-yl)propanoate
| Molecular Formula | C25H18N2O7 |
|---|---|
| Molecular Weight | 458.11 g/mol |
| LogP | 3.2572 |
| Topological Polar Surface Area | 123.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 458.1114 |
| Heavy Atoms | 34 |
| Complexity | 1366.695 |
Chemical Identifiers
| CAS Number | 462072-28-2 |
|---|---|
| SMILES | CC(C(=O)OCC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3=C4C(=CC=C5C4=C(CC5)C=C3)C2=O |
Product Overview
2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate (CAS 462072-28-2), with molecular formula C25H18N2O7 and molecular weight 458.11 g/mol. IUPAC: [2-(4-nitrophenyl)-2-oxoethyl] 2-(5,7-dioxo-6-azatetracyclo[6.5.2.04,15.011,14]pentadeca-1(14),2,4(15),8,10-pentaen-6-yl)propanoate.
Chemical Property Profile of 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate
Property Insights of 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate
The XLogP value of 3.2572 indicates that 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.89 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate. Following Lipinski's Rule of Five, 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate has 0 hydrogen bond donor(s) and 7 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 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate?
The CAS number of 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate is 462072-28-2.
What is the molecular formula of 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate?
The molecular formula of 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate is C25H18N2O7.
What is the molecular weight of 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate?
The molecular weight of 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate is 458.11 g/mol.
Where can I buy 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate?
You can request a quote for 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-nitrophenyl)-2-oxoethyl 2-(1,3-dioxo-1,3,6,7-tetrahydro-2H-indeno[6,7,1-def]isoquinolin-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.