1,2,4-Triazolidine-3,5-dione, 1-phenyl-
TL;DR: 1,2,4-Triazolidine-3,5-dione, 1-phenyl- (CAS 6942-46-7) is a chemical compound with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-1,2,4-triazolidine-3,5-dione
Also Known As: 1-Phenylurazole, 1-Phenyl-1,2,4-triazolidine-3,5-dione, phenylurazole, Bicarbamimide, 2-phenyl-, 1-phenyl-1h-1,2,4-triazole-3,5-diol
| Molecular Formula | C8H7N3O2 |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 61.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.05383 |
| Heavy Atoms | 13 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 6942-46-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)NC(=O)N2 |
| InChIKey | WFYLHMAYBQLBEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Triazolidine-3,5-dione, 1-phenyl- (CAS 6942-46-7), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: 1-phenyl-1,2,4-triazolidine-3,5-dione.
Chemical Property Profile of 1,2,4-Triazolidine-3,5-dione, 1-phenyl-
Property Insights of 1,2,4-Triazolidine-3,5-dione, 1-phenyl-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazolidine-3,5-dione, 1-phenyl-. The TPSA of 61.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,4-Triazolidine-3,5-dione, 1-phenyl-. Following Lipinski's Rule of Five, 1,2,4-Triazolidine-3,5-dione, 1-phenyl- has 2 hydrogen bond donor(s) and 2 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 1,2,4-Triazolidine-3,5-dione, 1-phenyl-?
The CAS number of 1,2,4-Triazolidine-3,5-dione, 1-phenyl- is 6942-46-7.
What is the molecular formula of 1,2,4-Triazolidine-3,5-dione, 1-phenyl-?
The molecular formula of 1,2,4-Triazolidine-3,5-dione, 1-phenyl- is C8H7N3O2.
What is the molecular weight of 1,2,4-Triazolidine-3,5-dione, 1-phenyl-?
The molecular weight of 1,2,4-Triazolidine-3,5-dione, 1-phenyl- is 177.05 g/mol.
Where can I buy 1,2,4-Triazolidine-3,5-dione, 1-phenyl-?
You can request a quote for 1,2,4-Triazolidine-3,5-dione, 1-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Triazolidine-3,5-dione, 1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolidine-3,5-dione, 1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.