2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
TL;DR: 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid (CAS 68321-62-0) is a chemical compound with molecular formula C11H9N3O4 and molecular weight 247.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
Also Known As: 2-(3-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid, 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid, 1,2,4-Triazine-6-carboxylicacid, 2,3,4,5-tetrahydro-2-(3-methylphenyl)-3,5-dioxo-, 3,5-Dioxo-2-m-tolyl-2,3,4,5-tetrahydro-[1,2,4]triazine-6-carboxylic acid
| Molecular Formula | C11H9N3O4 |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 99.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.05931 |
| Heavy Atoms | 18 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 68321-62-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)NC(=O)C(=N2)C(=O)O |
| InChIKey | AODRWDUVCNFLGE-UHFFFAOYSA-N |
Product Overview
2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid (CAS 68321-62-0), with molecular formula C11H9N3O4 and molecular weight 247.06 g/mol. IUPAC: 2-(3-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid.
Chemical Property Profile of 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
Property Insights of 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid. Following Lipinski's Rule of Five, 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid has 2 hydrogen bond donor(s) and 5 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 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid?
The CAS number of 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid is 68321-62-0.
What is the molecular formula of 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid?
The molecular formula of 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid is C11H9N3O4.
What is the molecular weight of 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid?
The molecular weight of 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid is 247.06 g/mol.
Where can I buy 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid?
You can request a quote for 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methylphenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.