1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid
TL;DR: 1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid (CAS 17687-24-0) is a chemical compound with molecular formula C5H3N3O6 and molecular weight 201.00218 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-nitro-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
Also Known As: 6-nitro-2,4-dioxo-1H-pyrimidine-5-carboxylic acid, 1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid, EINECS 241-671-1, NSC 43248
Technical Specifications
| Molecular Formula | C5H3N3O6 |
| Molecular Weight | 201.00218 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 201.00218 Da |
| Heavy Atoms | 14 |
| Complexity | 377.0 |
| SMILES | C1(=C(NC(=O)NC1=O)[N+](=O)[O-])C(=O)O |
| InChIKey | BVZVDEKFVBDETH-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid
Property Insights of 1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid
The XLogP value of -0.6 indicates that 1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting 1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid?
The CAS number of 1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid is 17687-24-0.
What is the molecular formula of 1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid?
The molecular formula of 1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid is C5H3N3O6.
What is the molecular weight of 1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid?
The molecular weight of 1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid is 201.00218 g/mol.
Where can I buy 1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid?
You can request a quote for 1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 1,2,3,6-Tetrahydro-5-nitro-2,6-dioxopyrimidine-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.