Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid
TL;DR: Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid (CAS 499-09-2) is a chemical compound with molecular formula C4H5N3O4 and molecular weight 159.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dioxo-1,3,5-triazinane-2-carboxylic acid
Also Known As: Dihydro-5-azaorotic acid, dihydrooxonate, Oxonic Acid, DHOX, 5-Aza-5,6-dihydroorotic acid
| Molecular Formula | C4H5N3O4 |
|---|---|
| Molecular Weight | 159.03 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.028 |
| Heavy Atoms | 11 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 499-09-2 |
|---|---|
| SMILES | C1(NC(=O)NC(=O)N1)C(=O)O |
| InChIKey | IRFZLMWJJPULRF-UHFFFAOYSA-N |
Product Overview
Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid (CAS 499-09-2), with molecular formula C4H5N3O4 and molecular weight 159.03 g/mol. IUPAC: 4,6-dioxo-1,3,5-triazinane-2-carboxylic acid.
Chemical Property Profile of Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid
Property Insights of Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid
The XLogP value of -1.5 indicates that Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid. Following Lipinski's Rule of Five, Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid has 4 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 Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid?
The CAS number of Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid is 499-09-2.
What is the molecular formula of Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid?
The molecular formula of Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid is C4H5N3O4.
What is the molecular weight of Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid?
The molecular weight of Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid is 159.03 g/mol.
Where can I buy Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid?
You can request a quote for Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for Hexahydro-4,6-dioxo-1,3,5-triazine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.