ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate
TL;DR: ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate (CAS 63376-44-3) is a chemical compound with molecular formula C16H17N3O6 and molecular weight 347.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate
Also Known As: ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate, ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxotetrahydrofuran-3-carboxylate, 3-(3,5-dioxo-4-phenyl-[1,2,4]triazolidin-1-yl)-5-methyl-2-oxo-tetrahydro-furan-3-carboxylic acid ethyl ester, ETHYL 3-(3,5-DIOXO-4-PHENYL-1,2,4-TRIAZOLIDIN-1-YL)-5-METHYL-2-OXO-OXOLANE-3-CARBOXYLATE, ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxo-tetrahydrofuran-3-carboxylate
| Molecular Formula | C16H17N3O6 |
|---|---|
| Molecular Weight | 347.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.11172 |
| Heavy Atoms | 25 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 63376-44-3 |
|---|---|
| SMILES | CCOC(=O)C1(CC(OC1=O)C)N2C(=O)N(C(=O)N2)C3=CC=CC=C3 |
| InChIKey | GATBUXFGTOMGMX-UHFFFAOYSA-N |
Product Overview
ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate (CAS 63376-44-3), with molecular formula C16H17N3O6 and molecular weight 347.11 g/mol. IUPAC: ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate.
Chemical Property Profile of ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate
Property Insights of ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate. Following Lipinski's Rule of Five, ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-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 ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate?
The CAS number of ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate is 63376-44-3.
What is the molecular formula of ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate?
The molecular formula of ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate is C16H17N3O6.
What is the molecular weight of ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate?
The molecular weight of ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate is 347.11 g/mol.
Where can I buy ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate?
You can request a quote for ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-(3,5-dioxo-4-phenyl-1,2,4-triazolidin-1-yl)-5-methyl-2-oxooxolane-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.