(4-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate
TL;DR: (4-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate (CAS 4136-03-2) is a chemical compound with molecular formula C12H9N3O6 and molecular weight 291.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate
Also Known As: (4-nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate, 4-nitrophenyl (2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate, 4-nitrophenyl(2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetate
| Molecular Formula | C12H9N3O6 |
|---|---|
| Molecular Weight | 291.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.04913 |
| Heavy Atoms | 21 |
| Complexity | 490.0 |
Chemical Identifiers
| CAS Number | 4136-03-2 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CN2C=CC(=O)NC2=O |
| InChIKey | IESQDQSVLHTSHT-UHFFFAOYSA-N |
Product Overview
(4-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate (CAS 4136-03-2), with molecular formula C12H9N3O6 and molecular weight 291.05 g/mol. IUPAC: (4-nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate.
Chemical Property Profile of (4-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate
Property Insights of (4-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate. Following Lipinski's Rule of Five, (4-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate has 1 hydrogen bond donor(s) and 6 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-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate?
The CAS number of (4-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate is 4136-03-2.
What is the molecular formula of (4-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate?
The molecular formula of (4-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate is C12H9N3O6.
What is the molecular weight of (4-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate?
The molecular weight of (4-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate is 291.05 g/mol.
Where can I buy (4-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate?
You can request a quote for (4-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl) 2-(2,4-dioxopyrimidin-1-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.