![methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate structure](/static/products/799/799772-23-9.png)
methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
TL;DR: methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate (CAS 799772-23-9) 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.
methyl 1-acetyl-7-(3-methylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Also Known As: methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate, 1-Acetyl-6,8-dioxo-7-m-tolyl-1,2,7-triaza-spiro[4.4]non-2-ene-3-carboxylic acid methyl ester, methyl 1-acetyl-7-(3-methylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate, methyl 4-acetyl-8-(3-methylphenyl)-7,9-dioxo-3,4,8-triazaspiro[4.4]non-2-ene-2-carboxylate
| Molecular Formula | C17H17N3O5 |
|---|---|
| Molecular Weight | 343.12 g/mol |
| LogP | 0.77832 |
| Topological Polar Surface Area | 96.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.11682 |
| Heavy Atoms | 25 |
| Complexity | 831.32715 |
Chemical Identifiers
| CAS Number | 799772-23-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)CC3(C2=O)CC(=NN3C(=O)C)C(=O)OC |
Product Overview
methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate (CAS 799772-23-9), with molecular formula C17H17N3O5 and molecular weight 343.12 g/mol. IUPAC: methyl 1-acetyl-7-(3-methylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate.
Chemical Property Profile of methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Property Insights of methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
The XLogP value of 0.77832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-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 methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate. Following Lipinski's Rule of Five, methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-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 methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The CAS number of methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is 799772-23-9.
What is the molecular formula of methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The molecular formula of methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is C17H17N3O5.
What is the molecular weight of methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The molecular weight of methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is 343.12 g/mol.
Where can I buy methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
You can request a quote for methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-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 methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-acetyl-6,8-dioxo-7-(m-tolyl)-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.