1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione
TL;DR: 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione (CAS 16044-43-2) is a chemical compound with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione
Also Known As: 1,4-Aptd, 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione, NCI60_029627, 1,2,4-Triazolidine-3,5-dione,1-acetyl-4-phenyl-, 1,2,4-Triazolidine-3,5-dione, 1-acetyl-4-phenyl-
| Molecular Formula | C10H9N3O3 |
|---|---|
| Molecular Weight | 219.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.06439 |
| Heavy Atoms | 16 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 16044-43-2 |
|---|---|
| SMILES | CC(=O)N1C(=O)N(C(=O)N1)C2=CC=CC=C2 |
| InChIKey | GMFZGVRQOGGCSY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione (CAS 16044-43-2), with molecular formula C10H9N3O3 and molecular weight 219.06 g/mol. IUPAC: 1-acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione.
Chemical Property Profile of 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione
Property Insights of 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione. Following Lipinski's Rule of Five, 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione has 1 hydrogen bond donor(s) and 3 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-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
The CAS number of 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione is 16044-43-2.
What is the molecular formula of 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
The molecular formula of 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione is C10H9N3O3.
What is the molecular weight of 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
The molecular weight of 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione is 219.06 g/mol.
Where can I buy 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
You can request a quote for 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-4-phenyl-1,2,4-triazolidine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.