![ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate structure](/static/products/679/679799-50-9.png)
ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
TL;DR: ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate (CAS 679799-50-9) is a chemical compound with molecular formula C17H16N4O7 and molecular weight 388.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Also Known As: ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate, Ethyl 1-acetyl-8-(3-nitrophenyl)-7,9-dioxo-1,2,8-triazaspiro[4.4]non-2-ene-3-carboxylate, ethyl 4-acetyl-8-(3-nitrophenyl)-7,9-dioxo-3,4,8-triazaspiro[4.4]non-2-ene-2-carboxylate
| Molecular Formula | C17H16N4O7 |
|---|---|
| Molecular Weight | 388.10 g/mol |
| LogP | 0.7682 |
| Topological Polar Surface Area | 139.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.1019 |
| Heavy Atoms | 28 |
| Complexity | 941.18854 |
Chemical Identifiers
| CAS Number | 679799-50-9 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)C |
Product Overview
ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate (CAS 679799-50-9), with molecular formula C17H16N4O7 and molecular weight 388.10 g/mol. IUPAC: ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate.
Chemical Property Profile of ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Property Insights of ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
The XLogP value of 0.7682 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate. The TPSA of 139.49 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate. Following Lipinski's Rule of Five, ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate has 0 hydrogen bond donor(s) and 8 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 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The CAS number of ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is 679799-50-9.
What is the molecular formula of ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The molecular formula of ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is C17H16N4O7.
What is the molecular weight of ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The molecular weight of ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is 388.10 g/mol.
Where can I buy ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
You can request a quote for ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-acetyl-7-(3-nitrophenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.