![benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate structure](/static/products/752/752988-53-7.png)
benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
TL;DR: benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate (CAS 752988-53-7) is a chemical compound with molecular formula C21H19N3O4 and molecular weight 377.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 7-(4-methylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Also Known As: benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate, benzyl 7-(4-methylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate, benzyl 8-(4-methylphenyl)-7,9-dioxo-3,4,8-triazaspiro[4.4]non-2-ene-2-carboxylate
| Molecular Formula | C21H19N3O4 |
|---|---|
| Molecular Weight | 377.14 g/mol |
| LogP | 2.08982 |
| Topological Polar Surface Area | 88.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.13754 |
| Heavy Atoms | 28 |
| Complexity | 968.905 |
Chemical Identifiers
| CAS Number | 752988-53-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)CC3(C2=O)CC(=NN3)C(=O)OCC4=CC=CC=C4 |
Product Overview
benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate (CAS 752988-53-7), with molecular formula C21H19N3O4 and molecular weight 377.14 g/mol. IUPAC: benzyl 7-(4-methylphenyl)-6,8-dioxo-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate.
Chemical Property Profile of benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
Property Insights of benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate
The XLogP value of 2.08982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate. The TPSA of 88.07 Ų falls within the moderate polarity range, balancing permeability and solubility for benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate. Following Lipinski's Rule of Five, benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate has 1 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 benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The CAS number of benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is 752988-53-7.
What is the molecular formula of benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The molecular formula of benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is C21H19N3O4.
What is the molecular weight of benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
The molecular weight of benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate is 377.14 g/mol.
Where can I buy benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
You can request a quote for benzyl 6,8-dioxo-7-(p-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 benzyl 6,8-dioxo-7-(p-tolyl)-1,2,7-triazaspiro[4.4]non-2-ene-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for benzyl 6,8-dioxo-7-(p-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.