1-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione
TL;DR: 1-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione (CAS 28538-67-2) is a chemical compound with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4-phenyl-1,2,4-triazolidine-3,5-dione
Also Known As: 1-methyl-4-phenyl-1,2,4-triazolidine-3,5-dione, 1-Methyl-4-phenylurazole, 4-phenyl-1-methyl urazole, Bicarbamimide, 2-methyl-N-phenyl-, 1,2,4-Triazolidine-3,5-dione, 1-methyl-4-phenyl-
| Molecular Formula | C9H9N3O2 |
|---|---|
| Molecular Weight | 191.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.06947 |
| Heavy Atoms | 14 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 28538-67-2 |
|---|---|
| SMILES | CN1C(=O)N(C(=O)N1)C2=CC=CC=C2 |
| InChIKey | RJNRHWZMHWQLBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione (CAS 28538-67-2), with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol. IUPAC: 1-methyl-4-phenyl-1,2,4-triazolidine-3,5-dione.
Chemical Property Profile of 1-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione
Property Insights of 1-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione. With a topological polar surface area (TPSA) of 52.7 Ų, 1-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione has 1 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-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
The CAS number of 1-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione is 28538-67-2.
What is the molecular formula of 1-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
The molecular formula of 1-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione is C9H9N3O2.
What is the molecular weight of 1-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
The molecular weight of 1-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione is 191.07 g/mol.
Where can I buy 1-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
You can request a quote for 1-Methyl-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-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4-phenyl-1,2,4-triazolidine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.