5-Nitrouracil
TL;DR: 5-Nitrouracil (CAS 611-08-5) is a chemical compound with molecular formula C4H3N3O4 and molecular weight 157.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1H-pyrimidine-2,4-dione
Also Known As: 5-Nitrouracil, Uracil, 5-nitro-, 2,4-Dihydroxy-5-nitropyrimidine, 5-nitropyrimidine-2,4-diol, 5-nitropyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C4H3N3O4 |
|---|---|
| Molecular Weight | 157.01 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.01236 |
| Heavy Atoms | 11 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 611-08-5 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)[N+](=O)[O-] |
| InChIKey | TUARVSWVPPVUGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitrouracil (CAS 611-08-5), with molecular formula C4H3N3O4 and molecular weight 157.01 g/mol. IUPAC: 5-nitro-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-Nitrouracil
Property Insights of 5-Nitrouracil
The XLogP value of -1.0 indicates that 5-Nitrouracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitrouracil. Following Lipinski's Rule of Five, 5-Nitrouracil 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 5-Nitrouracil?
The CAS number of 5-Nitrouracil is 611-08-5.
What is the molecular formula of 5-Nitrouracil?
The molecular formula of 5-Nitrouracil is C4H3N3O4.
What is the molecular weight of 5-Nitrouracil?
The molecular weight of 5-Nitrouracil is 157.01 g/mol.
Where can I buy 5-Nitrouracil?
You can request a quote for 5-Nitrouracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitrouracil?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitrouracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.