1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-
TL;DR: 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl- (CAS 14500-23-3) 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.
4-methyl-1-phenyl-1,2,4-triazolidine-3,5-dione
Also Known As: 1-Phenyl-4-methylurazole, 4-Methyl-1-phenylurazole, Thiophene, tetramethyl-, 4-methyl-1-phenyl urazole, Bicarbamimide, N-methyl-2-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 | 14500-23-3 |
|---|---|
| SMILES | CN1C(=O)NN(C1=O)C2=CC=CC=C2 |
| InChIKey | XVVORNVNYKBZKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl- (CAS 14500-23-3), with molecular formula C9H9N3O2 and molecular weight 191.07 g/mol. IUPAC: 4-methyl-1-phenyl-1,2,4-triazolidine-3,5-dione.
Chemical Property Profile of 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-
Property Insights of 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-. With a topological polar surface area (TPSA) of 52.7 Ų, 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl- 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 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-?
The CAS number of 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl- is 14500-23-3.
What is the molecular formula of 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-?
The molecular formula of 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl- is C9H9N3O2.
What is the molecular weight of 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-?
The molecular weight of 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl- is 191.07 g/mol.
Where can I buy 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-?
You can request a quote for 1,2,4-Triazolidine-3,5-dione, 4-methyl-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, 4-methyl-1-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.