5-Nitrobarbituric acid
TL;DR: 5-Nitrobarbituric acid (CAS 480-68-2) is a chemical compound with molecular formula C4H3N3O5 and molecular weight 173.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1,3-diazinane-2,4,6-trione
Also Known As: 5-NITROBARBITURIC ACID, Dilituric acid, 5-nitropyrimidine-2,4,6(1h,3h,5h)-trione, null, Dilitursaure
| Molecular Formula | C4H3N3O5 |
|---|---|
| Molecular Weight | 173.01 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.00726 |
| Heavy Atoms | 12 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 480-68-2 |
|---|---|
| SMILES | C1(C(=O)NC(=O)NC1=O)[N+](=O)[O-] |
| InChIKey | ABICJYZKIYUWEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitrobarbituric acid (CAS 480-68-2), with molecular formula C4H3N3O5 and molecular weight 173.01 g/mol. IUPAC: 5-nitro-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Nitrobarbituric acid
Property Insights of 5-Nitrobarbituric acid
The XLogP value of -1.1 indicates that 5-Nitrobarbituric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitrobarbituric acid. Following Lipinski's Rule of Five, 5-Nitrobarbituric 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 5-Nitrobarbituric acid?
The CAS number of 5-Nitrobarbituric acid is 480-68-2.
What is the molecular formula of 5-Nitrobarbituric acid?
The molecular formula of 5-Nitrobarbituric acid is C4H3N3O5.
What is the molecular weight of 5-Nitrobarbituric acid?
The molecular weight of 5-Nitrobarbituric acid is 173.01 g/mol.
Where can I buy 5-Nitrobarbituric acid?
You can request a quote for 5-Nitrobarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitrobarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitrobarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.