![Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate structure](/static/products/5725/57258-48-7.webp)
Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate
TL;DR: Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate (CAS 57258-48-7) is a chemical compound with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate
Also Known As: ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate, ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-, 6-ethoxycarbonyl-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-2,4-dione, 1,2,3,4,10,14b-Hexahydro-2-methyl-dibenzo[c,f]pyrazino[1,2-a]azepin-8-ol, 3-Phenyl-2,4-dioxo-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylic acid ethyl ester
| Molecular Formula | C12H11N3O4 |
|---|---|
| Molecular Weight | 261.07 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.07495 |
| Heavy Atoms | 19 |
| Complexity | 411.0 |
Chemical Identifiers
| CAS Number | 57258-48-7 |
|---|---|
| SMILES | CCOC(=O)C1N2N1C(=O)N(C2=O)C3=CC=CC=C3 |
| InChIKey | OLYGJAVNKFXWLR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate (CAS 57258-48-7), with molecular formula C12H11N3O4 and molecular weight 261.07 g/mol. IUPAC: ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate.
Chemical Property Profile of Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate
Property Insights of Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate. Following Lipinski's Rule of Five, Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate has 0 hydrogen bond donor(s) and 4 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 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate?
The CAS number of Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate is 57258-48-7.
What is the molecular formula of Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate?
The molecular formula of Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate is C12H11N3O4.
What is the molecular weight of Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate?
The molecular weight of Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate is 261.07 g/mol.
Where can I buy Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate?
You can request a quote for Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,4-dioxo-3-phenyl-1,3,5-triazabicyclo[3.1.0]hexane-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.