1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 39259-99-9) is a chemical compound with molecular formula C13H11N3O5 and molecular weight 289.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[(2-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: AB00074862-01, 1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1,3-dimethyl-5-(2-nitrobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione, 1,3-dimethyl-5-[(2-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione, 1,3-dimethyl-5-(2-nitrobenzylidene)dihydropyrimidine-2,4,6(1h,3h,5h)-trione
| Molecular Formula | C13H11N3O5 |
|---|---|
| Molecular Weight | 289.07 g/mol |
| LogP | 1.0286 |
| Topological Polar Surface Area | 100.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.0699 |
| Heavy Atoms | 21 |
| Complexity | 668.80206 |
Chemical Identifiers
| CAS Number | 39259-99-9 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC=CC=C2[N+](=O)[O-])C(=O)N(C1=O)C |
Product Overview
1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 39259-99-9), with molecular formula C13H11N3O5 and molecular weight 289.07 g/mol. IUPAC: 1,3-dimethyl-5-[(2-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 1.0286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 100.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione has 0 hydrogen bond donor(s) and 5 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 1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 39259-99-9.
What is the molecular formula of 1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C13H11N3O5.
What is the molecular weight of 1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 289.07 g/mol.
Where can I buy 1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dimethyl-5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.