1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-, ion(1-)
TL;DR: 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-, ion(1-) (CAS 135283-78-2) is a chemical compound with molecular formula C9H8N3O2- and molecular weight 190.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-oxo-1-phenyl-1,2,4-triazol-3-olate
Also Known As: 4-methyl-5-oxo-1-phenyl-1,2,4-triazol-3-olate, 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-, ion(1-), 4-Methyl-5-oxo-1-phenyl-4,5-dihydro-1H-1,2,4-triazol-3-olate
| Molecular Formula | C9H8N3O2- |
|---|---|
| Molecular Weight | 190.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.06165 |
| Heavy Atoms | 14 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 135283-78-2 |
|---|---|
| SMILES | CN1C(=NN(C1=O)C2=CC=CC=C2)[O-] |
| InChIKey | XVVORNVNYKBZKT-UHFFFAOYSA-M |
Product Overview
1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-, ion(1-) (CAS 135283-78-2), with molecular formula C9H8N3O2- and molecular weight 190.06 g/mol. IUPAC: 4-methyl-5-oxo-1-phenyl-1,2,4-triazol-3-olate.
Chemical Property Profile of 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-, ion(1-)
Property Insights of 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-, ion(1-)
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-, ion(1-). With a topological polar surface area (TPSA) of 59.0 Ų, 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-, ion(1-) 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-, ion(1-) has 0 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 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-, ion(1-)?
The CAS number of 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-, ion(1-) is 135283-78-2.
What is the molecular formula of 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-, ion(1-)?
The molecular formula of 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-, ion(1-) is C9H8N3O2-.
What is the molecular weight of 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-, ion(1-)?
The molecular weight of 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-, ion(1-) is 190.06 g/mol.
Where can I buy 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-, ion(1-)?
You can request a quote for 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-, ion(1-) 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-, ion(1-)?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Triazolidine-3,5-dione, 4-methyl-1-phenyl-, ion(1-) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.