2-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
TL;DR: 2-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid (CAS 3181-68-8) is a chemical compound with molecular formula C10H6BrN3O4 and molecular weight 310.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
Also Known As: 2-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid, 2-(4-bromophenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic Acid, 2-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylicacid
| Molecular Formula | C10H6BrN3O4 |
|---|---|
| Molecular Weight | 310.95 g/mol |
| LogP | 0.3815 |
| Topological Polar Surface Area | 105.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.95416 |
| Heavy Atoms | 18 |
| Complexity | 717.138 |
Chemical Identifiers
| CAS Number | 3181-68-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=O)NC(=O)C(=N2)C(=O)O)Br |
Product Overview
2-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid (CAS 3181-68-8), with molecular formula C10H6BrN3O4 and molecular weight 310.95 g/mol. IUPAC: 2-(4-bromophenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid.
Chemical Property Profile of 2-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
Property Insights of 2-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid
The XLogP value of 0.3815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid. The TPSA of 105.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid has 2 hydrogen bond donor(s) and 4 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-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid?
The CAS number of 2-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid is 3181-68-8.
What is the molecular formula of 2-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid?
The molecular formula of 2-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid is C10H6BrN3O4.
What is the molecular weight of 2-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid?
The molecular weight of 2-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid is 310.95 g/mol.
Where can I buy 2-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid?
You can request a quote for 2-(4-Bromophenyl)-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-(4-Bromophenyl)-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)-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.