(5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde
TL;DR: (5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde (CAS 160206-04-2) is a chemical compound with molecular formula C6H5N3O5 and molecular weight 199.02292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetaldehyde
Also Known As: KST-1A1808, 2-(5-nitro-2,4-dioxopyrimidin-1-yl)acetaldehyde, (5-nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde, 1(2H)-Pyrimidineacetaldehyde,3,4-dihydro-5-nitro-2,4-dioxo-
Technical Specifications
| Molecular Formula | C6H5N3O5 |
| Molecular Weight | 199.02292 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.02292 Da |
| Heavy Atoms | 14 |
| Complexity | 342.0 |
| SMILES | C1=C(C(=O)NC(=O)N1CC=O)[N+](=O)[O-] |
| InChIKey | IIJBTCDOPUNMQQ-UHFFFAOYSA-N |
Chemical Property Profile of (5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde
Property Insights of (5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde
The XLogP value of -1.2 indicates that (5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde. Following Lipinski's Rule of Five, (5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde?
The CAS number of (5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde is 160206-04-2.
What is the molecular formula of (5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde?
The molecular formula of (5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde is C6H5N3O5.
What is the molecular weight of (5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde?
The molecular weight of (5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde is 199.02292 g/mol.
Where can I buy (5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde?
You can request a quote for (5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde?
Yes, CoreyChem provides custom synthesis services for (5-Nitro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.