2,4(1H,3H)-Pyrimidinedione, nitro-
TL;DR: 2,4(1H,3H)-Pyrimidinedione, nitro- (CAS 487008-65-1) 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.
3-nitro-1H-pyrimidine-2,4-dione
Also Known As: nitro-uracil, 2,4(1H,3H)-Pyrimidinedione, nitro-, Nitro-2,4(1H,3H)-pyrimidinedione, 3-nitro-1H-pyrimidine-2,4-dione, 3-nitropyrimidine-2,4(1H,3H)-dione
| Molecular Formula | C4H3N3O4 |
|---|---|
| Molecular Weight | 157.01 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 157.01236 |
| Heavy Atoms | 11 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 487008-65-1 |
|---|---|
| SMILES | C1=CNC(=O)N(C1=O)[N+](=O)[O-] |
| InChIKey | FIGJKSJMYKOQFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4(1H,3H)-Pyrimidinedione, nitro- (CAS 487008-65-1), with molecular formula C4H3N3O4 and molecular weight 157.01 g/mol. IUPAC: 3-nitro-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 2,4(1H,3H)-Pyrimidinedione, nitro-
Property Insights of 2,4(1H,3H)-Pyrimidinedione, nitro-
The XLogP value of -0.6 indicates that 2,4(1H,3H)-Pyrimidinedione, nitro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4(1H,3H)-Pyrimidinedione, nitro-. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyrimidinedione, nitro- has 1 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 2,4(1H,3H)-Pyrimidinedione, nitro-?
The CAS number of 2,4(1H,3H)-Pyrimidinedione, nitro- is 487008-65-1.
What is the molecular formula of 2,4(1H,3H)-Pyrimidinedione, nitro-?
The molecular formula of 2,4(1H,3H)-Pyrimidinedione, nitro- is C4H3N3O4.
What is the molecular weight of 2,4(1H,3H)-Pyrimidinedione, nitro-?
The molecular weight of 2,4(1H,3H)-Pyrimidinedione, nitro- is 157.01 g/mol.
Where can I buy 2,4(1H,3H)-Pyrimidinedione, nitro-?
You can request a quote for 2,4(1H,3H)-Pyrimidinedione, nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4(1H,3H)-Pyrimidinedione, nitro-?
Yes, KEHONG BIO provides custom synthesis services for 2,4(1H,3H)-Pyrimidinedione, nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.