![Ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate structure](/static/products/796/796877-17-3.png)
Ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
TL;DR: Ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate (CAS 796877-17-3) is a chemical compound with molecular formula C17H17N3O5 and molecular weight 343.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Also Known As: ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate, ethyl 4-acetyl-7,9-dioxo-8-phenyl-3,4,8-triazaspiro[4.4]non-2-ene-2-carboxylate
| Molecular Formula | C17H17N3O5 |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 0.86 |
| Topological Polar Surface Area | 96.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.11682 |
| Heavy Atoms | 25 |
| Complexity | 788.73285 |
Chemical Identifiers
| CAS Number | 796877-17-3 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C2(C1)CC(=O)N(C2=O)C3=CC=CC=C3)C(=O)C |
Product Overview
Ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate (CAS 796877-17-3), with molecular formula C17H17N3O5 and molecular weight 343.12 g/mol. IUPAC: ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate.
Chemical Property Profile of Ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Property Insights of Ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
The XLogP value of 0.86 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate. The TPSA of 96.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate 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 Ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The CAS number of Ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is 796877-17-3.
What is the molecular formula of Ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The molecular formula of Ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is C17H17N3O5.
What is the molecular weight of Ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The molecular weight of Ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is 343.12 g/mol.
Where can I buy Ethyl 1-acetyl-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
You can request a quote for Ethyl 1-acetyl-6,8-dioxo-7-phenyl-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-6,8-dioxo-7-phenyl-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-acetyl-6,8-dioxo-7-phenyl-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.