4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one
TL;DR: 4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one (CAS 3106-03-4) is a chemical compound with molecular formula C9H11N3O8 and molecular weight 289.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-nitropyrimidine-2,4-dione
Also Known As: 5-nitro-1-pentofuranosylpyrimidine-2,4(1h,3h)-dione, 4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one, 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-nitro-pyrimidine-2,4-dione, 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-nitropyrimidine-2,4-dione
| Molecular Formula | C9H11N3O8 |
|---|---|
| Molecular Weight | 289.05 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.05463 |
| Heavy Atoms | 20 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 3106-03-4 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1C2C(C(C(O2)CO)O)O)[N+](=O)[O-] |
| InChIKey | QSHRORQBJAVCRL-UHFFFAOYSA-N |
Product Overview
4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one (CAS 3106-03-4), with molecular formula C9H11N3O8 and molecular weight 289.05 g/mol. IUPAC: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-nitropyrimidine-2,4-dione.
Chemical Property Profile of 4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one
Property Insights of 4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one
The XLogP value of -1.9 indicates that 4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 165.0 Ų indicates high polarity, suggesting 4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one has 4 hydrogen bond donor(s) and 8 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 4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one?
The CAS number of 4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one is 3106-03-4.
What is the molecular formula of 4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one?
The molecular formula of 4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one is C9H11N3O8.
What is the molecular weight of 4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one?
The molecular weight of 4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one is 289.05 g/mol.
Where can I buy 4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one?
You can request a quote for 4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxy-5-nitro-1-pentofuranosylpyrimidin-2(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.