Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
TL;DR: Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate (CAS 52376-89-3) is a chemical compound with molecular formula C7H7N3O6 and molecular weight 229.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylate
Also Known As: ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate, 2-diethoxyphosphorylacetamide, ETHYL 2,6-DIHYDROXY-5-NITROPYRIMIDINE-4-CARBOXYLATE, ethyl 5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylate, ethyl 5-nitro-2,6-dioxo-3H-pyrimidine-4-carboxylate
| Molecular Formula | C7H7N3O6 |
|---|---|
| Molecular Weight | 229.03 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.03348 |
| Heavy Atoms | 16 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 52376-89-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=O)NC(=O)N1)[N+](=O)[O-] |
| InChIKey | DAZDARINDDLSLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate (CAS 52376-89-3), with molecular formula C7H7N3O6 and molecular weight 229.03 g/mol. IUPAC: ethyl 5-nitro-2,4-dioxo-1H-pyrimidine-6-carboxylate.
Chemical Property Profile of Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
Property Insights of Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
The XLogP value of -0.5 indicates that Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate has 2 hydrogen bond donor(s) and 6 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 Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate?
The CAS number of Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate is 52376-89-3.
What is the molecular formula of Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate?
The molecular formula of Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate is C7H7N3O6.
What is the molecular weight of Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate?
The molecular weight of Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate is 229.03 g/mol.
Where can I buy Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate?
You can request a quote for Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.