1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate
TL;DR: 1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate (CAS 447413-38-9) is a chemical compound with molecular formula C14H15N3O6 and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(2-methoxy-2-oxoethyl)-3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl]acetate
Also Known As: ChemDiv2_002279, 1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate, A2644/0112617, methyl 2-[2-(2-methoxy-2-oxoethyl)-3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl]acetate, dimethyl 2,2'-(3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diyl)diacetate
| Molecular Formula | C14H15N3O6 |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 321.0961 |
| Heavy Atoms | 23 |
| Complexity | 467.0 |
Chemical Identifiers
| CAS Number | 447413-38-9 |
|---|---|
| SMILES | COC(=O)CN1C(=O)N(C(=O)N1CC(=O)OC)C2=CC=CC=C2 |
| InChIKey | VAQHKNZUGNJRIG-UHFFFAOYSA-N |
Product Overview
1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate (CAS 447413-38-9), with molecular formula C14H15N3O6 and molecular weight 321.10 g/mol. IUPAC: methyl 2-[2-(2-methoxy-2-oxoethyl)-3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl]acetate.
Chemical Property Profile of 1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate
Property Insights of 1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate. Following Lipinski's Rule of Five, 1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate 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 1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate?
The CAS number of 1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate is 447413-38-9.
What is the molecular formula of 1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate?
The molecular formula of 1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate is C14H15N3O6.
What is the molecular weight of 1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate?
The molecular weight of 1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate is 321.10 g/mol.
Where can I buy 1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate?
You can request a quote for 1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethyl 3,5-dioxo-4-phenyl-1,2,4-triazolidine-1,2-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.