![Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate structure](/static/products/6064/6064-35-3.webp)
Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate
TL;DR: Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate (CAS 6064-35-3) is a chemical compound with molecular formula C22H17NO7 and molecular weight 407.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-(4-nitrophenyl)-1,4-dioxonaphthalen-2-yl]-3-oxobutanoate
Also Known As: BIM-0043923.P001, ethyl 2-[3-(4-nitrophenyl)-1,4-dioxonaphthalen-2-yl]-3-oxobutanoate, Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate, ETHYL 2-[3-(4-NITROPHENYL)-1,4-DIOXO-NAPHTHALEN-2-YL]-3-OXO-BUTANOATE
| Molecular Formula | C22H17NO7 |
|---|---|
| Molecular Weight | 407.10 g/mol |
| LogP | 3.1959 |
| Topological Polar Surface Area | 120.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.1005 |
| Heavy Atoms | 30 |
| Complexity | 1112.5609 |
Chemical Identifiers
| CAS Number | 6064-35-3 |
|---|---|
| SMILES | CCOC(=O)C(C1=C(C(=O)C2=CC=CC=C2C1=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C |
Product Overview
Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate (CAS 6064-35-3), with molecular formula C22H17NO7 and molecular weight 407.10 g/mol. IUPAC: ethyl 2-[3-(4-nitrophenyl)-1,4-dioxonaphthalen-2-yl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate
Property Insights of Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate
The XLogP value of 3.1959 indicates that Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.65 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate 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 Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate?
The CAS number of Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate is 6064-35-3.
What is the molecular formula of Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate?
The molecular formula of Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate is C22H17NO7.
What is the molecular weight of Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate?
The molecular weight of Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate is 407.10 g/mol.
Where can I buy Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate?
You can request a quote for Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[3-(4-nitrophenyl)-1,4-dioxo-1,4-dihydronaphthalen-2-yl]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.