Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate
TL;DR: Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate (CAS 100084-85-3) is a chemical compound with molecular formula C12H11N3O6 and molecular weight 293.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate
Also Known As: NCI60_033226, Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate, dimethyl 4-phenyl-3,5-dioxo-1,2,4-triazolidine-1,2-dicarboxylate
| Molecular Formula | C12H11N3O6 |
|---|---|
| Molecular Weight | 293.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.0648 |
| Heavy Atoms | 21 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 100084-85-3 |
|---|---|
| SMILES | COC(=O)N1C(=O)N(C(=O)N1C(=O)OC)C2=CC=CC=C2 |
| InChIKey | CYKNMYXRNSGXHN-UHFFFAOYSA-N |
Product Overview
Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate (CAS 100084-85-3), with molecular formula C12H11N3O6 and molecular weight 293.06 g/mol. IUPAC: dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate.
Chemical Property Profile of Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate
Property Insights of Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate 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 Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate?
The CAS number of Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate is 100084-85-3.
What is the molecular formula of Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate?
The molecular formula of Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate is C12H11N3O6.
What is the molecular weight of Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate?
The molecular weight of Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate is 293.06 g/mol.
Where can I buy Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate?
You can request a quote for Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.